SCHEMBL11078956

SCHEMBL11078956

COc1ccc(-c2nc(S)ncc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.48
▸ USP2 O75604 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41

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
SCHEMBL11078932 0.93 KMT2A (0.67) KMT2AMEN1NPSR1TP53MAPT
SCHEMBL10999619 0.84 KMT2A (0.60) KMT2AMEN1NPSR1USP2CYP1A2
SCHEMBL11079379 0.81 KMT2A (0.56) KMT2AMEN1NPSR1USP2CYP1A2
SCHEMBL10988161 0.75 PIK3CA (0.50) KMT2AMEN1NPSR1MAPTNPC1
SCHEMBL28869963 0.74 MALT1 (0.48) KMT2AMEN1NPSR1TP53MAPT
SCHEMBL28279865 0.74 MALT1 (0.48) KMT2AMEN1NPSR1TP53MAPT
SCHEMBL18952672 0.72 NPSR1 (0.46) KMT2AMEN1NPSR1TP53MAPT
SCHEMBL11083093 0.72 ADORA1 (0.57) KMT2APTGS2
SCHEMBL4803279 0.71 CNR1 (0.61) KMT2AMEN1NPSR1USP2CYP1A2
SCHEMBL11077623 0.71 ADORA1 (0.53) KMT2A

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
US-4438117-A ANALGESICS, ANTINFLAMMATORY AND ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-20 — — US disclosed
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