SCHEMBL13627367

SCHEMBL13627367

COc1cc2nc(NCCC3=NCCN3)nc(NC3CCN(Cc4c(OCCN(C)C)cccc4N(C)C)CC3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 18/20 0.57
▸ KDM1A O60341 15/20 0.57
▸ RCOR1 Q9UKL0 15/20 0.57
▸ EZH2 Q15910 2/20 0.54
▸ PRMT1 Q99873 2/20 0.54
▸ KMT5A Q9NQR1 1/20 0.54
▸ EHMT1 Q9H9B1 2/20 0.52
▸ SPIN1 Q9Y657 2/20 0.50
▸ WHR1 P49842 1/20 0.50

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
SCHEMBL1428037 0.90 EHMT2 (0.70) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911829 0.89 EHMT2 (0.58) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1428110 0.89 EHMT2 (0.71) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1427837 0.88 EHMT2 (0.64) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911812 0.88 EHMT2 (0.63) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911828 0.87 EHMT2 (0.57) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL13627118 0.87 EHMT2 (0.57) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1428514 0.87 EHMT2 (0.67) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1428164 0.87 EHMT2 (0.66) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911833 0.87 EHMT2 (0.57) EHMT2KDM1ARCOR1EZH2PRMT1

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-2009143058-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-11-26 — — WO disclosed
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