SCHEMBL11209268

SCHEMBL11209268

Nc1ccc2c(O)nc(O)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.52
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
ACHE P22303 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL7496154 0.84 CTDSP1 (0.41) MDM4MEN1LMNAACHEKMT2A
SCHEMBL11690458 0.77 NQO2 (0.53) MDM4MEN1LMNAACHEKMT2A
SCHEMBL281875 0.77 CHEK1 (0.42) MDM4MEN1LMNAACHEKMT2A
SCHEMBL2536405 0.76 KDM4E (0.46) MEN1ACHEKMT2AKCNH2
SCHEMBL29487338 0.76 MPO (0.41) ACHEF2HTTPLAUDYRK1A
SCHEMBL3306872 0.76 MPO (0.41) ACHEF2HTTPLAUDYRK1A
SCHEMBL2082154 0.72 EGFR (0.51) MDM4MEN1LMNAACHEKMT2A
SCHEMBL17412363 0.72 DHFR (0.51) MEN1LMNAKMT2AHTTDHFR
SCHEMBL2174621 0.72 MPO (0.47) MEN1LMNAACHEKMT2ANQO2
SCHEMBL4092307 0.72 ALDH1A1 (0.42) MEN1LMNAKMT2AKCNH2HRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101735157-B Preparation method of erlotinib hydrochloride SHANGHAI NORTHCAROLINA CHEMLABS CO LTD 2012-08-22 CN disclosed
CN-101735157-A Preparation method of erlotinib hydrochloride SHANGHAI NORTHCAROLINA CHEMLAB 2010-06-16 CN disclosed
EP-0010722-B1 MONOAZO-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-20 EP disclosed
US-4312807-A HEAT RESISTANT PIGMENTS FOR POLYVINYL CHLORIDE AND POLYETHYLENE HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-26 US disclosed
EP-0010722-A1 Monoazo-compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-14 EP disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 US disclosed
US-3963694-A AZO PIGMENTS, POLYESTERS, CELLULOSE ETHERS AND ESTERS CIBA-GEIGY CORPORATION (US) 1976-06-15 US disclosed
US-3956266-A DISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed