SCHEMBL20170064

SCHEMBL20170064

C=C(NCc1ccc(C)[nH]c1=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2)nc(NC(C)C)c1C=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ KISS1R Q969F8 1/20 0.34
▸ NMT1 P30419 3/20 0.34
▸ EZH2 Q15910 3/20 0.34
▸ EED O75530 1/20 0.34
▸ RBBP4 Q09028 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ AEBP2 Q6ZN18 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ KIT P10721 2/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL19391593 0.93 CHRM3 (0.42) CHRM3PARP1SLC2A1HTR2CMCHR1
SCHEMBL25542301 0.84 EZH2 (0.48) CHRM3EZH2EEDRBBP4SUZ12
SCHEMBL25542545 0.80 CHRM3 (0.42) CHRM3PARP1SLC2A1HTR2CMCHR1
SCHEMBL20170345 0.79 EZH2 (0.42) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19391378 0.77 NMT1 (0.42) CHRM3PARP1NMT1KITAVPR1B
SCHEMBL19391615 0.77 EZH2 (0.56) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19391614 0.77 EZH2 (0.57) EZH2
SCHEMBL25542018 0.76 EZH2 (0.56) EZH2HDAC6
SCHEMBL12684331 0.74 EZH2 (0.61) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL19391414 0.73 EZH2 (0.46) EZH2EEDRBBP4SUZ12AEBP2

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-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 — — EP disclosed
Send feedback