SCHEMBL3840595

SCHEMBL3840595

COCOc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 4/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 2/20 0.44
IMPDH2 P12268 1/20 0.44
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
HTT P42858 1/20 0.43
PHGDH O43175 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL3048705 0.86 GPR132 (0.51) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3049111 0.81 ROCK2 (0.51) KDM4EALDH1A1LMNAROCK2ROCK1
SCHEMBL3046878 0.81 ROCK2 (0.56) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL3039175 0.80 ROCK2 (0.47) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL3039120 0.79 POLB (0.58) SMN1; SMN2POLBROCK2ROCK1IMPDH2
SCHEMBL3834428 0.79 ROCK2 (0.49) ALDH1A1LMNARAB9APOLBNPC1
SCHEMBL3042553 0.78 ROCK2 (0.48) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL3836272 0.78 RAB9A (0.57) ALDH1A1LMNARAB9APOLBNPC1
SCHEMBL3046859 0.78 ROCK2 (0.48) ROCK2ROCK1IMPDH2ADAMTS4ADAMTS5
SCHEMBL94229 0.76 IMPDH2 (0.52) SMN1; SMN2LMNARAB9APOLBROCK2

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed