SCHEMBL13627368

SCHEMBL13627368

CCCc1cccc(N(C)C)c1CN1CCC(Nc2nc(NCCN(CC)CC)nc3cc(OC)c(OC)cc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 19/20 0.64
KDM1A O60341 17/20 0.64
RCOR1 Q9UKL0 17/20 0.64
EZH2 Q15910 2/20 0.54
PRMT1 Q99873 2/20 0.54
KMT5A Q9NQR1 1/20 0.54
WHR1 P49842 1/20 0.53
EHMT1 Q9H9B1 1/20 0.52

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
SCHEMBL1427588 0.92 EHMT2 (0.68) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911758 0.90 EHMT2 (0.72) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1427844 0.88 EHMT2 (0.76) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911817 0.86 EHMT2 (0.66) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1428491 0.85 EHMT2 (0.79) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911793 0.84 EHMT2 (0.70) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1430691 0.84 EHMT2 (0.69) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911842 0.82 EHMT2 (0.76) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1428037 0.82 EHMT2 (0.70) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911824 0.81 EHMT2 (0.69) 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