SCHEMBL4774707

SCHEMBL4774707

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.40
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ABCB1 P08183 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4774428 0.82 KMT2A (0.46) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4020618 0.81 KIF11 (0.41) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4021208 0.80 GRIN2B (0.38) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4021213 0.80 GRIN2B (0.38) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4022415 0.80 GRIN2B (0.38) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4020371 0.80 KIF11 (0.45) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4028765 0.80 OPRD1 (0.38) KIF11
SCHEMBL4022426 0.79 BLM (0.43) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4019197 0.79 KIF11 (0.39) KIF11ALDH1A1USP2LMNAMAPT
SCHEMBL4780207 0.79 L3MBTL1 (0.37) KIF11ALDH1A1USP2LMNAMAPT

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