SCHEMBL20170334

SCHEMBL20170334

C=Cc1cc(C(F)(F)F)cc(NC2CCCC2)c1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ FOXO1 Q12778 1/20 0.32
▸ GPR35 Q9HC97 2/20 0.32
▸ CTSC P53634 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ ADRB2 P07550 2/20 0.31
▸ GABBR2 O75899 1/20 0.31
▸ GABBR1 Q9UBS5 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ULK1 O75385 1/20 0.31
▸ IDO1 P14902 3/20 0.31
▸ TDO2 P48775 3/20 0.31

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
SCHEMBL20170132 0.79 GABBR2 (0.36) MAPTSOS1PIM1GABBR2GABBR1
SCHEMBL7181978 0.68 MAPT (0.54) KDM4EGAAMAPTPIM1GABBR2
SCHEMBL16904557 0.67 CTSC (0.43) KDM4EGAAMAPTSOS1CTSC
SCHEMBL20356222 0.65 ALDH1A1 (0.44) KDM4EGAAMAPTULK1
SCHEMBL30657540 0.65 ALDH1A1 (0.44) KDM4EGAAMAPTULK1
SCHEMBL27723944 0.63 CA1 (0.49) KDM4EMAPTLMNA
SCHEMBL355011 0.62 ALDH1A1 (0.53) KDM4EGAAMAPTLMNA
SCHEMBL13280371 0.61 YAP1 (0.49) KDM4EMAPTGPR35
SCHEMBL496065 0.61 ALDH1A1 (0.51) KDM4EMAPTLMNA
SCHEMBL16904560 0.61 MALT1 (0.42) SOS1GPR35CTSCLMNAULK1

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
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