SCHEMBL4774225

SCHEMBL4774225

CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2cc(Cl)cc(Cl)c2)C(C(=O)c2ccccc2)C1.COc1cccc(C2C(C(=O)c3ccccc3)CN(CC(=O)N(C)C)CC2C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GRIN2B Q13224 2/20 0.41
KDM2B Q8NHM5 3/20 0.41
CCR5 P51681 1/20 0.40
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ABL2 P42684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4774221 1.00 KMT2A (0.46) KMT2AHTTMEN1ALDH1A1GRIN2B
SCHEMBL4021076 0.93 GRIN2B (0.45) KMT2AHTTMEN1ALDH1A1GRIN2B
SCHEMBL4021079 0.93 GRIN2B (0.45) KMT2AHTTMEN1ALDH1A1GRIN2B
SCHEMBL4024200 0.89 KMT2A (0.41) KMT2AHTTMEN1ALDH1A1GRIN2B
SCHEMBL4024195 0.89 KMT2A (0.41) KMT2AHTTMEN1ALDH1A1GRIN2B
SCHEMBL4021403 0.87 KMT2A (0.45) KMT2AHTTMEN1ALDH1A1KDM2B
SCHEMBL4021402 0.87 KMT2A (0.45) KMT2AHTTMEN1ALDH1A1KDM2B
SCHEMBL4021772 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1GRIN2BKDM2B
SCHEMBL4021770 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1GRIN2BKDM2B
SCHEMBL4751419 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1GRIN2BTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed