SCHEMBL69726

SCHEMBL69726

[CH](Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 2/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ARG2 P78540 1/20 0.43
CALM1 P0DP23 1/20 0.43
G6PC1 P35575 1/20 0.40
TSHR P16473 4/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL8712652 0.85 MAOB (0.48) MAOBALDH1A1CA1CA2ARG2
SCHEMBL8199494 0.84 MAOB (0.46) MAOBALDH1A1CA1CA2ARG2
SCHEMBL5852576 0.84 MAOB (0.52) MAOBALDH1A1CYP2A6TSHRLOXL2
SCHEMBL8196750 0.84 G6PC1 (0.49) MAOBG6PC1TSHRL3MBTL1HSD17B10
SCHEMBL3241749 0.84 LMNA (0.42) MAOBALDH1A1CYP2A6TSHRIDO1
SCHEMBL8840747 0.84 SIGMAR1 (0.44) MAOBALDH1A1G6PC1TSHRIDO1
SCHEMBL654153 0.84 NFE2L2 (0.52) MAOBALDH1A1TSHRTRPA1L3MBTL1
SCHEMBL6456118 0.84 G6PC1 (0.49) MAOBALDH1A1G6PC1CYP3A4CYP2C9
SCHEMBL4348469 0.84 ESR1 (0.45) MAOBCA1CA2G6PC1IDO1
SCHEMBL5966235 0.84 CYP1A2 (0.46) MAOBALDH1A1G6PC1LOXL2CYP3A4

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 2036 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN claimed
EP-3377504-A1 CYCLAM BASED COMPOUNDS, THEIR CONJUGATES, CO-ORDINATION COMPOUNDS, PHARMACEUTICAL COMPOSITION CONTAINING THEREOF, METHOD OF PREPARATION AND USE THEREOF Univerzita Karlova (CZ) 2018-09-26 EP claimed
US-10071984-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-11 US claimed
CN-106512848-B A kind of cyclic quaternary ammonium salts Gemini surface active agent and preparation method thereof 武汉工程大学 2018-07-17 CN claimed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US claimed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 US claimed
CN-106512848-A Cyclic quaternary ammonium salt gemini surfactant and preparation method thereof 武汉工程大学 2017-03-22 CN claimed
US-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 US claimed
CN-105845739-A Two-dimensional nano sheet layer transition metal sulfide bidirectional switch device 天津理工大学 2016-08-10 CN claimed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
EP-0243645-A2 Compounds having a nootropic activity, agents containing them and their use in the treatment and prophylaxis of cognitive malfunctions HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP claimed
EP-0221516-A1 7-(Aryloxy)-2-quinolyloxy-alkane-acid derivatives, process for their preparation and herbicides containing them SCHERING AKTIENGESELLSCHAFT (DE) 1987-05-13 EP claimed
EP-0194464-A1 Amino acid derivatives and use thereof for the preparation of an anticonvulsant Research Corporation Technologies, Inc. (a Delaware corp.) (US) 1986-09-17 EP claimed
EP-0179015-A1 7-(Aryloxy)-2-naphthoxyalkanecarboxylic acid derivatives, processes for the preparation of these compounds, as well as agents having herbicidal activity containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-23 EP claimed
US-4552969-A 3-Alkanoyl benzothiazoline compounds useful for treating cardiovascular disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US claimed
US-4419490-A GROUP 8 METAL HEYL & CO. CHEMISCH-PHARMAZEUTISCHE FABRIK (DE) 1983-12-06 US claimed
US-4277480-A DISORDERS OF CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1981-07-07 US claimed
EP-0001644-A1 N-substituted mercaptoacetamidines and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1979-05-02 EP claimed
US-4144271-A IMMUNOREGULANTS MERCK & CO., INC. (US) 1979-03-13 US claimed
US-3995059-A CHOLESTEROL LOWERING AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-30 US claimed