SCHEMBL13061130

SCHEMBL13061130

CCc1cccc(NC(=O)N[C@@H](CC(C)C)CN(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 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
SCHEMBL13005624 0.92 MAPK1 (0.46) MAPTMEN1KMT2AMAPK1NPSR1
SCHEMBL10364099 0.79 SMN1; SMN2 (0.60) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL13060853 0.77 HDAC4 (0.45) HDAC4
SCHEMBL13061119 0.77 HDAC4 (0.45) HDAC4
SCHEMBL13779842 0.77 CA12 (0.64) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL13005674 0.75 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1GAAALOX15
SCHEMBL15601909 0.75 MAPT (0.53) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL13061112 0.73 NISCH (0.35) MEN1KMT2A
SCHEMBL13061084 0.73 NISCH (0.35) MEN1KMT2A
SCHEMBL14405803 0.72 MAPT (0.62) MAPTMEN1RAB9AKMT2ASMN1; SMN2

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-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed