SCHEMBL1726674

SCHEMBL1726674

Cc1cccc(NC(=O)c2ccc(S(=O)(=O)C3CCc4ccccc4N3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ GRM5 P41594 4/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1727761 0.80 KMT2A (0.41) KMT2ASMN1; SMN2MEN1LMNAPOLB
SCHEMBL1727755 0.80 NAMPT (0.53) RAB9AKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1728219 0.80 NAMPT (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1728014 0.80 NPC1 (0.45) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1727750 0.80 KMT2A (0.47) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL1726609 0.79 MAPT (0.54) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1727700 0.78 KMT2A (0.50) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1728196 0.78 LMNA (0.50) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1727751 0.78 PARP1 (0.43) KMT2AMEN1RXFP1MAPTPOLB
SCHEMBL1727825 0.78 RAB9A (0.52) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403499-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL Stemsynergy Therapeutics, Inc (US) 2012-01-11 — — EP disclosed
WO-2010101964-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS, INC (US) 2010-09-10 — — WO disclosed
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