SCHEMBL3836090

SCHEMBL3836090

CC(C)C(O[Si](C)(C)C(C)(C)C)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
IMPDH2 P12268 3/20 0.41
B3GNT2 Q9NY97 1/20 0.39
USP36 Q9P275 2/20 0.38
HDAC1 Q13547 1/20 0.37
TACR3 P29371 1/20 0.36
PHGDH O43175 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PPARG P37231 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3840008 0.81 IMPDH2 (0.46) ROCK2ROCK1IMPDH2B3GNT2USP36
SCHEMBL3040156 0.75 IMPDH2 (0.54) ROCK2ROCK1IMPDH2CYP1A2CYP2C9
SCHEMBL3835041 0.75 IMPDH2 (0.45) ROCK2ROCK1IMPDH2B3GNT2USP36
SCHEMBL3046619 0.75 IMPDH2 (0.51) ROCK2ROCK1IMPDH2USP36PPARG
SCHEMBL3049695 0.73 IMPDH2 (0.52) ROCK2ROCK1IMPDH2PPARGMEN1
SCHEMBL3039346 0.73 ROCK2 (0.57) ROCK2ROCK1IMPDH2CYP1A2CYP2C19
SCHEMBL3836791 0.70 IMPDH2 (0.49) ROCK2ROCK1IMPDH2B3GNT2USP36
SCHEMBL3835811 0.69 POLB (0.56) ROCK2IMPDH2B3GNT2USP36PHGDH
SCHEMBL3039175 0.68 ROCK2 (0.47) ROCK2ROCK1IMPDH2CYP1A2CYP2C19
SCHEMBL3046746 0.68 VNN1 (0.57) IMPDH2USP36CYP2C19MEN1KMT2A

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