SCHEMBL4772648

SCHEMBL4772648

Cc1cccc(C2C(C(=O)c3ccccc3)CN(CCN)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RORC P51449 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CCR5 P51681 1/20 0.35
SLC6A1 P30531 1/20 0.34

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
SCHEMBL4776368 0.93 KIF11 (0.46) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4780721 0.93 KIF11 (0.46) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4776377 0.89 KCNH2 (0.42) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4772352 0.89 L3MBTL1 (0.37) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4780207 0.89 L3MBTL1 (0.37) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4019541 0.88 KCNH2 (0.36) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4019539 0.88 KCNH2 (0.36) KIF11KCNH2MEN1KMT2ARORC
SCHEMBL4028159 0.88 ALDH1A1 (0.39) KIF11MEN1KMT2AALDH1A1LMNA
SCHEMBL4780209 0.88 KIF11 (0.36) KIF11MEN1KMT2AALDH1A1
SCHEMBL4775780 0.87 KCNH2 (0.40) KIF11KCNH2KMT2ARORCALDH1A1

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