SCHEMBL2669044

SCHEMBL2669044

CC(=O)c1cn(C(C)C)c2cc(C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
KAT2B Q92831 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM1A O60341 1/20 0.38
BRD4 O60885 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CREBBP Q92793 2/20 0.35
NR1I2 O75469 1/20 0.35
EGFR P00533 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL17576060 0.90 KDM4E (0.43) LMNASMN1; SMN2RAB9AHTTPOLB
SCHEMBL2642568 0.88 CSNK2A1 (0.42) RAB9APOLBNPC1KDM4EHSD17B10
SCHEMBL1107323 0.86 ALDH1A1 (0.43) LMNASMN1; SMN2HTTALDH1A1KDM1A
SCHEMBL2642679 0.82 HTT (0.50) LMNAHTTKDM4EKDM1AKMT2A
SCHEMBL16166767 0.81 LMNA (0.39) LMNARAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL14756161 0.80 BRD4 (0.49) LMNASMN1; SMN2RAB9AHTTPOLB
SCHEMBL12444946 0.79 KAT2B (0.56) LMNASMN1; SMN2RAB9AHTTPOLB
SCHEMBL10193346 0.75 LMNA (0.49) LMNASMN1; SMN2RAB9AHTTPOLB
SCHEMBL18562264 0.74 SMN1; SMN2 (0.54) LMNASMN1; SMN2RAB9AHTTPOLB
SCHEMBL2227996 0.74 NFATC1 (0.56) LMNAHTTKAT2BKDM4E

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-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed