SCHEMBL8772679

SCHEMBL8772679

Nc1ccc(/C=C/c2ccc(N)c(O)c2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.61
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NQO2 P16083 4/20 0.52
ALOX12 P18054 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RGS12 O14924 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CASP1 P29466 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL8772685 1.00 LCK (0.61) LCKCYP3A4ALOX15HSD17B10NQO2
SCHEMBL9790453 0.82 HSD17B10 (0.42) LCKCYP3A4ALOX15HSD17B10NQO2
SCHEMBL9484291 0.82 KDM4E (0.70) CYP3A4ALOX15HSD17B10KDM4EMEN1
SCHEMBL9484287 0.82 KDM4E (0.70) CYP3A4ALOX15HSD17B10KDM4EMEN1
SCHEMBL3674733 0.81 ALOX15 (0.50) LCKCYP3A4ALOX15HSD17B10NQO2
SCHEMBL7149065 0.81 KDM4E (0.64) LCKCYP3A4ALOX15HSD17B10KDM4E
SCHEMBL6329460 0.76 APP (0.73) CYP3A4ALOX15HSD17B10ALOX12KDM4E
SCHEMBL6329457 0.76 APP (0.73) CYP3A4ALOX15HSD17B10ALOX12KDM4E
SCHEMBL1824175 0.76 LCK (1.00) LCKCYP3A4ALOX15HSD17B10NQO2
SCHEMBL31706727 0.76 LCK (1.00) LCKCYP3A4ALOX15HSD17B10NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606013-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1997-10-22 EP claimed
US-5424377-A Process to prevent scale adhesion using condensation product of aromatic amine and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-13 US claimed
EP-0606013-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-07-13 EP claimed
EP-0606013-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1997-10-22 EP disclosed
US-5424377-A Process to prevent scale adhesion using condensation product of aromatic amine and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0606013-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-07-13 EP disclosed