SCHEMBL19086254

SCHEMBL19086254

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cncc(C(F)(F)F)c3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.40
WDR77 Q9BQA1 7/20 0.40
MAOB P27338 1/20 0.37
DDR2 Q16832 1/20 0.37
NAMPT P43490 4/20 0.36
ENPP2 Q13822 2/20 0.36
METTL3 Q86U44 1/20 0.36
DDR1 Q08345 2/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL19085976 0.92 DDR2 (0.46) PRMT5WDR77MAOBDDR2NAMPT
SCHEMBL19086023 0.91 NAMPT (0.38) PRMT5WDR77MAOBNAMPTMETTL3
SCHEMBL19086257 0.90 PRMT5 (0.38) PRMT5WDR77MAOBDDR2ENPP2
SCHEMBL19086985 0.89 PRMT5 (0.41) PRMT5WDR77MAOBNAMPTMETTL3
SCHEMBL19085984 0.88 ROCK2 (0.42) PRMT5WDR77MAOBMETTL3
SCHEMBL19085991 0.87 MAOB (0.42) PRMT5WDR77MAOBNAMPTMETTL3
SCHEMBL19085994 0.86 ROCK2 (0.41) PRMT5WDR77MAOBNAMPTMETTL3
SCHEMBL19086042 0.86 PRMT5 (0.38) PRMT5WDR77MAOBENPP2METTL3
SCHEMBL19086994 0.85 MAOB (0.39) PRMT5WDR77MAOBNAMPTMETTL3
SCHEMBL19086205 0.85 MAOB (0.39) PRMT5WDR77MAOBNAMPTMETTL3

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