SCHEMBL14160551

SCHEMBL14160551

CC(C)(C)c1ccc(-c2cc(C(=O)NC3CC3)no2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.70
NPC1 O15118 12/20 0.67
RAB9A P51151 11/20 0.67
KMT2A Q03164 4/20 0.66
S1PR1 P21453 2/20 0.66
MEN1 O00255 2/20 0.66
MLLT1 Q03111 5/20 0.65
TDP1 Q9NUW8 1/20 0.64
MLLT3 P42568 2/20 0.56
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL15099490 0.85 NPC1 (0.90) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL11937745 0.82 TRPV1 (1.00) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL11931686 0.81 NPC1 (1.00) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL18618367 0.79 MLLT1 (0.95) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL14160552 0.79 TP53 (0.58) NPC1RAB9AKMT2ATP53HPGD
SCHEMBL17661429 0.78 NPC1 (1.00) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL16373728 0.78 NPC1 (0.81) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL11931680 0.78 NPC1 (1.00) TRPV1NPC1RAB9AKMT2AS1PR1
SCHEMBL4093700 0.78 ALDH1A1 (0.66) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14160559 0.78 CYP1A2 (0.67) NPC1RAB9AKMT2AMEN1ALDH1A1

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-2008070739-A1 KSP ACTIVATORS CYTOKINETICS, INC. (US) 2008-06-12 WO disclosed