SCHEMBL311949

SCHEMBL311949

c1ccc(CONc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HRAS P01112 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
BCHE P06276 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
Hydrochloric Acid SCHEMBL584919 0.98 AGXT (0.48) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL29222023 0.87 AGXT (0.48) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL31634177 0.86 RAB9A (0.54) NPC1RAB9AIDO1AGXTCYP1A2
SCHEMBL30665225 0.86 AR (0.47) TSHRNPC1RAB9AIDO1MEN1
SCHEMBL8340183 0.86 TSHR (0.41) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL31634208 0.86 RAB9A (0.50) NPC1RAB9AIDO1AGXTMEN1
SCHEMBL31634216 0.86 MAOB (0.46) NPC1RAB9AIDO1AGXTMEN1
SCHEMBL31634175 0.86 IDO1 (0.45) NPC1RAB9AIDO1MEN1KMT2A
SCHEMBL6334977 0.86 POLB (0.46) CA9LMNA
SCHEMBL27883757 0.86 NPC1 (0.54) TSHRNPC1RAB9AMEN1KMT2A

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

Claimed or disclosed in 214 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100500643-C Chemical synthesis of 3,4,5-trioxyaniline UNIV XIAMEN (CN) 2009-06-17 CN claimed
EP-1922310-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2008-05-21 EP claimed
CN-101029008-A Chemical synthesis of 3,4,5-trioxyaniline UNIV XIAMEN (CN) 2007-09-05 CN claimed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 WO claimed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 WO claimed
JP-57035546-A None JP disclosed
JP-56099449-A None JP disclosed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
CN-120051467-A 2 (1H) -pyridinimine derivatives 住友制药株式会社 2025-05-27 CN disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed
US-20230367084-A1 Determination Method, Optical Control Element and Manufacturing Method Thereof NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2023-11-16 US disclosed
CN-110423212-B Hydroxy indole carboxylic acid-based inhibitors of SHP2 美国印第安纳大学研究和技术公司 2023-05-09 CN disclosed
JP-S5735546-A ANILINOBENZYL ESTER, ITS PREPARATION AND INSECTICIDE AND ACARICIDE NIPPON SODA CO LTD 1982-02-26 JP disclosed
US-4287351-A USEFUL AS ANTIDEPRESSANTS DELALANDE S.A. (FR) 1981-09-01 US disclosed
JP-S5699449-A PHENYLACETIC ESTER, ITS PREPARATION AND INSECTICIDE AND ACARICIDE NIPPON SODA CO LTD 1981-08-10 JP disclosed
US-4136185-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, ADRENOLYTICS, ANTIPHLOGISTICS, ANALGESICS, ANTIHISTAMINES, ANTICHOLESTEROL AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-23 US disclosed
US-4100282-A CNS DEPRESSANT, ADRENOLYTIC ANALGESIC, ANTIHISTAMINE, ANTIPHLOGISTIC, ANTICHOLESTEREMIA BOEHRINGER INGELHEIM GMBH (DE) 1978-07-11 US disclosed
US-4038279-A CNS DEPRESSANTS, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC BOEHRINGER INGELHEIM GMBH (DT) 1977-07-26 US disclosed
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 disclosed
US-3941789-A CNS DEPRESSANT, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC, ANTIHISTAMINE, ANTICHOLESTEROL BOEHRINGER INGELHEIM GMBH (DT) 1976-03-02 US disclosed