SCHEMBL19620804

SCHEMBL19620804

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 20/20 0.72
EZH1 Q92800 4/20 0.67
NR1I2 O75469 1/20 0.61
EED O75530 1/20 0.61
ABCB11 O95342 1/20 0.61
PDE4D Q08499 1/20 0.61
RBBP4 Q09028 1/20 0.61
KCNH2 Q12809 1/20 0.61
PDE3A Q14432 1/20 0.61
SUZ12 Q15022 1/20 0.61
AEBP2 Q6ZN18 1/20 0.61
EHMT2 Q96KQ7 1/20 0.61

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
SCHEMBL14717843 0.94 EZH2 (0.70) EZH2EZH1NR1I2EEDABCB11
SCHEMBL2589143 0.89 EZH2 (0.70) EZH2EZH1EEDSUZ12
SCHEMBL19620940 0.89 EZH2 (0.66) EZH2EZH1EEDSUZ12
SCHEMBL2594597 0.86 EZH2 (0.61) EZH2EZH1EEDSUZ12
SCHEMBL12180083 0.85 EZH2 (0.85) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL19620729 0.85 EZH2 (0.70) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL2594531 0.85 EZH2 (0.58) EZH2EZH1
SCHEMBL14717553 0.84 EZH2 (0.71) EZH2EZH1EEDSUZ12
SCHEMBL2594806 0.84 EZH2 (0.75) EZH2EZH1EEDSUZ12
SCHEMBL23030040 0.84 EZH2 (0.72) EZH2EZH1NR1I2EEDABCB11

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-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed