SCHEMBL4772529

SCHEMBL4772529

Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CCCN3CCN(C)CC3)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 2/20 0.38
RAD52 P43351 1/20 0.38
DRD2 P14416 2/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
HTR7 P34969 1/20 0.38
RAB9A P51151 1/20 0.38
DRD4 P21917 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
SCHEMBL4780151 1.00 KCNH2 (0.43) KCNH2KMT2AALDH1A1KDM4EPOLB
SCHEMBL4894834 0.90 POLB (0.44) KCNH2KMT2AALDH1A1KDM4EPOLB
SCHEMBL4894830 0.90 POLB (0.44) KCNH2KMT2AALDH1A1KDM4EPOLB
SCHEMBL4795657 0.90 POLB (0.44) KCNH2KMT2AALDH1A1KDM4EPOLB
SCHEMBL4022116 0.89 CYP2C9 (0.41) KCNH2KMT2AALDH1A1MEN1DRD2
SCHEMBL4773635 0.88 KCNH2 (0.40) KCNH2KMT2AALDH1A1
SCHEMBL4775780 0.88 KCNH2 (0.40) KCNH2KMT2AALDH1A1
SCHEMBL4028327 0.87 KMT2A (0.34) KCNH2KMT2AALDH1A1KDM4EPOLB
SCHEMBL4020474 0.87 KMT2A (0.34) KCNH2KMT2AALDH1A1KDM4EPOLB
SCHEMBL4780721 0.87 KIF11 (0.46) KCNH2KMT2AALDH1A1MEN1

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 4 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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed