SCHEMBL3457763

SCHEMBL3457763

Bc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.80
KDM4E B2RXH2 3/20 0.79
PDE10A Q9Y233 2/20 0.79
LMNA P02545 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
POLB P06746 1/20 0.76
KMT2A Q03164 1/20 0.65
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 1/20 0.64
AKR1C3 P42330 1/20 0.63
AKR1C2 P52895 1/20 0.63
AKR1C1 Q04828 1/20 0.63

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
SCHEMBL29536364 0.89 DHODH (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL2467110 0.89 DHODH (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL7588217 0.89 KDM4E (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL25519 0.89 KDM4E (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL29376617 0.89 KDM4E (1.00) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL20414373 0.88 DHODH (0.62) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL10757475 0.87 KDM4E (0.97) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL4805149 0.87 KDM4E (0.97) DHODHKDM4EPDE10ALMNASMN1; SMN2
Cinchophen SCHEMBL4464779 0.87 KDM4E (0.97) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL8689228 0.86 DHODH (0.82) DHODHKDM4EPDE10ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096170-A2 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-08-26 WO disclosed
US-7666813-B2 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 US disclosed