SCHEMBL10774397

SCHEMBL10774397

Cc1cc(C)c(Cl)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.44
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
STAT3 P40763 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
UHRF1 Q96T88 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 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
SCHEMBL26694859 0.77 KDM4E (0.38) KDM4EPOLBIDO1ALDH1A1SMN1; SMN2
SCHEMBL25145416 0.77 KDM4E (0.40) KDM4EPOLBIDO1ALDH1A1SMN1; SMN2
SCHEMBL8344113 0.75 KDM4E (0.54) KDM4EPOLBIDO1ALDH1A1SMN1; SMN2
SCHEMBL10412021 0.75 SMN1; SMN2 (0.54) POLBALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL1279214 0.75 KDM4E (0.54) KDM4EPOLBIDO1ALDH1A1SMN1; SMN2
SCHEMBL21516636 0.75 ALDH1A1 (0.43) KDM4EPOLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL8883011 0.73 KDM4E (0.52) KDM4EPOLBIDO1ALDH1A1MAPK1
SCHEMBL1744864 0.73 KDM4E (0.47) KDM4EPOLBIDO1ALDH1A1SMN1; SMN2
SCHEMBL3886713 0.71 POLB (0.53) KDM4EPOLBIDO1ALDH1A1MAPK1
SCHEMBL29513014 0.71 POLB (0.53) KDM4EPOLBIDO1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed