SCHEMBL2080

SCHEMBL2080

[c]1nccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
CYP2A6 P11509 2/20 0.33
ALOX12 P18054 1/20 0.33
NCF1 P14598 2/20 0.32
NOS2 P35228 2/20 0.32
BACE1 P56817 2/20 0.32
F12 P00748 1/20 0.32
PLAU P00749 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL27475861 0.98 ALDH1A1 (0.33) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL28399583 0.98 ALDH1A1 (0.33) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL29103760 0.98 ALDH1A1 (0.33) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL1825832 0.84
SCHEMBL28296576 0.80 ALDH1A1 (0.37) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL3141049 0.79 ALDH1A1 (0.41) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL28258823 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL158554 0.73 CLK1 (0.33) KDM4E
SCHEMBL28538426 0.73 BACE1 (0.47) ALDH1A1MAPTHPGDALOX12BACE1
SCHEMBL28535007 0.73 BACE1 (0.43) ALDH1A1MAPTHPGDALOX12BACE1

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 280316 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432995-B1 None US claimed
US-12043634-B2 Metal complexes, methods of making the same, and uses thereof THE UNIVERSITY OF MANITOBA (CA) 2024-07-23 US claimed
WO-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 WO claimed
WO-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO claimed
US-20240239824-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US claimed
WO-2024151809-A1 INHIBITORS OF BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 (BMPR2) AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2024-07-18 WO claimed
US-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US claimed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US claimed
US-20240244953-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US claimed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP claimed
US-4001235-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US claimed
US-4000274-A PHARMACEUTICAL COMPOSITIONS CONTAINING AN N-ARYL-N'-(PHENYL-OR-PHENOXY-ALKYL)-PIPERAZINE AND METHOD OF USE BOEHRINGER INGELHEIM GMBH (DT) 1976-12-28 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3981882-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US claimed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US claimed
US-3968102-A VASODILATOR, ANTICOAGULANT KOHJIN CO., LTD. (JA) 1976-07-06 US claimed
US-3957758-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1976-05-18 US claimed
US-3951993-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US claimed
US-3941789-A CNS DEPRESSANT, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC, ANTIHISTAMINE, ANTICHOLESTEROL BOEHRINGER INGELHEIM GMBH (DT) 1976-03-02 US claimed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US claimed