SCHEMBL3222685

SCHEMBL3222685

COc1ccc(NC(=O)c2cc(Nc3ccc(O)cc3)ncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.63
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
EGFR P00533 1/20 0.59
ERBB3 P21860 1/20 0.59
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
PKM P14618 1/20 0.52
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
S1PR3 Q99500 1/20 0.50
AURKA O14965 1/20 0.48
TP53 P04637 1/20 0.48
AR P10275 1/20 0.47

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
SCHEMBL3233015 0.89 MEN1 (0.58) S1PR1MEN1KMT2AEGFRERBB3
SCHEMBL3229139 0.85 S1PR1 (0.72) S1PR1MEN1KMT2AEGFRERBB3
SCHEMBL3221284 0.84 S1PR1 (0.63) S1PR1EGFRERBB3NPC1RAB9A
SCHEMBL3222703 0.81 NPC1 (0.53) S1PR1MEN1KMT2AEGFRERBB3
SCHEMBL3220007 0.80 S1PR1 (0.52) S1PR1MEN1KMT2AEGFRERBB3
SCHEMBL3222813 0.78 EGFR (0.64) S1PR1MEN1KMT2AEGFRERBB3
SCHEMBL3226154 0.77 S1PR1 (0.61) S1PR1MEN1KMT2AEGFRERBB3
SCHEMBL2880368 0.77 S1PR1 (1.00) S1PR1SMN1; SMN2S1PR3AURKA
SCHEMBL14906228 0.77 S1PR1 (0.76) S1PR1
SCHEMBL3234588 0.76 S1PR1 (0.62) S1PR1NPC1RAB9ASMN1; SMN2MAPT

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
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed