SCHEMBL14639959

SCHEMBL14639959

C=C(Nc1ccc2cc(-c3cccc4cnccc34)ccc2c1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ IMPDH2 P12268 2/20 0.37
▸ SERPINE1 P05121 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL2379165 0.89 HTT (0.52) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL12298503 0.73 EPHX2 (0.44) EPHX2HTTPIK3CDPIK3CBPIK3CG
SCHEMBL4967823 0.71 RAB9A (0.60) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL12297424 0.71 NTSR1 (0.39) EPHX2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL20353537 0.70 ALDH1A1 (0.65) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL8187973 0.68 IMPDH2 (0.45) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL13459817 0.66 TRPV1 (0.53) KDM4EIMPDH2TRPV1ROCK2
SCHEMBL6968376 0.66 KDM4E (0.47) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL17932555 0.66 TNF (0.49) KDM4ENPC1RAB9APIK3CDPIK3CB
SCHEMBL2379761 0.65 SIRT2 (0.49) KMT2AALDH1A1SMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005668-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-01-11 — — WO disclosed
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