SCHEMBL1498698

SCHEMBL1498698

Nc1ccc(N)c(Cc2ccco2)c1Cc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.44
GAA P10253 2/20 0.43
ALOX5 P09917 1/20 0.39
KMT2A Q03164 3/20 0.38
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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 SCHEMBL28167008 0.88 PNP (0.42) PNPGAAALOX5KMT2ACHRM2
SCHEMBL1404275 0.78 CHRM2 (0.46) GAAALOX5KMT2ACHRM2ALDH1A1
SCHEMBL9536141 0.76 LMNA (0.39) PNPGAAKMT2AALDH1A1HPGD
SCHEMBL6912345 0.75 GAA (0.41) PNPGAAALOX5KMT2ACHRM2
SCHEMBL2875800 0.75 GAA (0.45) PNPGAAALOX5KMT2ACHRM2
SCHEMBL5862424 0.70 CHRM2 (0.41) GAAALOX5KMT2ACHRM2ALDH1A1
SCHEMBL43101 0.69
SCHEMBL596315 0.68 CALM1 (0.50) KMT2AALDH1A1TSHRUSP2MEN1
Furfuryl Alcohol SCHEMBL27884405 0.68
SCHEMBL1014861 0.68 MAOA (0.46) GAAKMT2AALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011506452-A 2011-03-03 JP claimed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP claimed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO claimed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP disclosed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed