SCHEMBL4776368

SCHEMBL4776368

Cc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)CN(CCCN)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
KCNH2 Q12809 2/20 0.40
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SYK P43405 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
RORC P51449 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL4780721 1.00 KIF11 (0.46) KIF11KCNH2CHRM1ALDH1A1LMNA
SCHEMBL4772648 0.93 KIF11 (0.44) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4775780 0.90 KCNH2 (0.40) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4773635 0.90 KCNH2 (0.40) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4772352 0.87 L3MBTL1 (0.37) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4780207 0.87 L3MBTL1 (0.37) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4776377 0.87 KCNH2 (0.42) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4778087 0.87 KIF11 (0.47) KIF11KCNH2
SCHEMBL4780151 0.87 KCNH2 (0.43) KCNH2ALDH1A1KMT2AMEN1
SCHEMBL4772529 0.87 KCNH2 (0.43) KCNH2ALDH1A1KMT2AMEN1

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 disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed