SCHEMBL1726839

SCHEMBL1726839

COc1cccc(NC(=O)c2ccc(S(=O)(=O)C3CCc4ccccc4N3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ NLRP3 Q96P20 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.52
▸ TP53 P04637 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.51
▸ KCNK9 Q9NPC2 2/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MAPK14 Q16539 1/20 0.49
▸ KCNA5 P22460 3/20 0.48
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL1727825 0.90 RAB9A (0.52) RAB9ANPC1ALDH1A1HSD17B10TP53
SCHEMBL1727750 0.88 KMT2A (0.47) RAB9ANPC1ALDH1A1TP53KMT2A
SCHEMBL1727700 0.87 KMT2A (0.50) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL1727751 0.86 PARP1 (0.43) ALDH1A1KMT2AKCNK9KCNK3RXFP1
SCHEMBL1728187 0.84 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL1727843 0.83 PHGDH (0.42) KMT2AKCNK9KCNK3MAPK14MEN1
SCHEMBL1727755 0.81 NAMPT (0.53) RAB9AALDH1A1SMN1; SMN2KMT2APKM
SCHEMBL1727677 0.80 NAMPT (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1727761 0.79 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1728014 0.78 NPC1 (0.45) RAB9ANPC1TP53SMN1; SMN2KMT2A

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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