SCHEMBL17319369

SCHEMBL17319369

Cc1cc(C)c(CNC(=O)c2ccc([C@H](C)O[C@H]3CCOC3)cc2)c(O)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 2/20 0.38
▸ P2RX3 P56373 5/20 0.37
▸ P2RX2 Q9UBL9 5/20 0.37
▸ GRM5 P41594 6/20 0.35
▸ RAMP1 O60894 1/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ CCR5 P51681 1/20 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

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
SCHEMBL17319368 1.00 EZH2 (0.38) EZH2P2RX3P2RX2GRM5RAMP1
SCHEMBL17319370 1.00 EZH2 (0.38) EZH2P2RX3P2RX2GRM5RAMP1
SCHEMBL17319371 1.00 EZH2 (0.38) EZH2P2RX3P2RX2GRM5RAMP1
SCHEMBL14967357 1.00 EZH2 (0.38) EZH2P2RX3P2RX2GRM5RAMP1
SCHEMBL14969511 0.95 EZH2 (0.40) EZH2P2RX3P2RX2RAMP1CALCRL
SCHEMBL14966673 0.87 EED (0.44) EZH2RAMP1CALCRLPDE4DKLKB1
SCHEMBL14967276 0.84 P2RX3 (0.37) EZH2P2RX3P2RX2GRM5PDE4D
SCHEMBL14972094 0.82 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL14972238 0.82 EZH2 (0.51) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL14972130 0.82 EZH2 (0.51) 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
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
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