SCHEMBL19085980

SCHEMBL19085980

Cc1ccc(F)cc1CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H](NC(=O)c1ccc3[nH]ncc3c1)C(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 13/20 0.40
WDR77 Q9BQA1 13/20 0.40
METTL3 Q86U44 1/20 0.38
ROCK2 O75116 2/20 0.37
ABL1 P00519 1/20 0.36
NAMPT P43490 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ROCK1 Q13464 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
SCHEMBL19085997 0.90 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2ABL1
SCHEMBL19085992 0.90 PRMT5 (0.40) PRMT5WDR77METTL3ROCK2ABL1
SCHEMBL19085986 0.88 PRMT5 (0.39) PRMT5WDR77METTL3ROCK2ABL1
SCHEMBL19086223 0.86 METTL3 (0.43) PRMT5WDR77METTL3ROCK2ABL1
SCHEMBL19086979 0.85 MAOB (0.39) PRMT5WDR77METTL3ROCK2NAMPT
SCHEMBL19086000 0.85 KDM4E (0.39) HDAC6
SCHEMBL19085979 0.83 MAOB (0.41) PRMT5WDR77METTL3ROCK2NAMPT
SCHEMBL19086260 0.80 METTL3 (0.38) PRMT5WDR77METTL3ROCK2NAMPT
SCHEMBL19086045 0.80 HDAC6 (0.43) PRMT5WDR77ROCK2HDAC6ROCK1
SCHEMBL19086003 0.80 METTL3 (0.38) PRMT5WDR77METTL3ROCK2NAMPT

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-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed