SCHEMBL33931

SCHEMBL33931

C1=Cc2ccccc2CN1

nearest known ligand 0.95

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.95
OXTR P30559 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PNMT P11086 1/20 0.33
CD44 P16070 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTR2C P28335 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28167488 1.00 PARP1 (0.95) PARP1OXTRCA1CA2PNMT
SCHEMBL29429329 1.00 PARP1 (0.95) PARP1OXTRCA1CA2PNMT
Iodide SCHEMBL7226882 0.98 PARP1 (0.91) PARP1OXTRCA1CA2PNMT
SCHEMBL28243677 0.98 PARP1 (0.91) PARP1OXTRCA1CA2PNMT
Hydrochloric Acid SCHEMBL27599345 0.98 PARP1 (1.00) PARP1OXTRCA1CA2PNMT
Hydrochloric Acid SCHEMBL7007870 0.98 PARP1 (1.00) PARP1OXTRCA1CA2PNMT
Bromide SCHEMBL7236242 0.98 PARP1 (0.91) PARP1OXTRCA1CA2PNMT
Bromide SCHEMBL19031040 0.98 PARP1 (0.91) PARP1OXTRCA1CA2PNMT
Formaldehyde SCHEMBL27966942 0.94 PARP1 (0.84) PARP1OXTRCA1CA2PNMT
SCHEMBL27864562 0.92 PARP1 (0.81) PARP1OXTRCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 6407 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396191-B1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2026-02-18 EP claimed
EP-4611899-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE Petra Pharma Corporation (US) 2025-09-10 EP claimed
US-20250154109-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC 2025-05-15 US claimed
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 WO claimed
CN-117567553-B 2-Thr-dihydroisoquinoline-3S-formyl-AA as IL-2 agonist, and preparation and antitumor application thereof 首都医科大学 2025-03-28 CN claimed
WO-2025029890-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-02-06 WO claimed
US-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2025-01-14 US claimed
EP-4472966-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-12-11 EP claimed
US-20240355476-A1 METHODS AND COMPOSITIONS RELATED TO TRIPLE-NEGATIVE BREAST CANCER THE UNIVERSITY OF CHICAGO (US) 2024-10-24 US claimed
CN-118221636-A Substituted dihydro isoquinoline derivative, preparation method and application thereof 浙江省化工研究院有限公司 2024-06-21 CN claimed
WO-1986000897-A1 NOVEL RADIOPHARMACEUTICALS AND CHELATING AGENTS USEFUL IN THEIR PREPARATION UNIVERSITY OF FLORIDA (US) 1986-02-13 WO claimed
WO-1985003937-A1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES UNIVERSITY OF FLORIDA (US) 1985-09-12 WO claimed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US claimed
EP-0028959-B1 5,8,13,13A-TETRAHYDRO-6H-DIBENZO(A,G)QUINOLIZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM U.R.P.H.A. (FR) 1985-01-30 EP claimed
EP-0028279-B1 PHTHALIDE-ISOQUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS CALAIRE CHIMIE S.A. (FR) 1983-02-16 EP claimed
EP-0028959-A1 5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine derivatives, process for their preparation and pharmaceutical compositions containing them U.R.P.H.A. (FR) 1981-05-20 EP claimed
EP-0028279-A1 Phthalide-isoquinoline derivatives, their preparation and their use in medicaments CALAIRE CHIMIE S.A. (FR) 1981-05-13 EP claimed
US-4200754-A Method for preparing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline SMITHKLINE CORPORATION (US) 1980-04-29 US claimed
US-4013468-A Method of hardening a protein-containing layer of a silver halide photographic material with an alkyl ester of 1,2-dihydroquinoline-N-carboxylic acid AGFA-GEVAERT, A.G. (DT) 1977-03-22 US claimed
US-3983122-A FROM CYCLOALKENYL KETONE AND DIHYDROISOQUINOLINE, ANTIDEPRESSANT RICHARDSON-MERRELL INC. (US) 1976-09-28 US claimed