SCHEMBL4773750

SCHEMBL4773750

CCCOc1ccc(C(=O)N[C@H](CC(=O)O)Cc2ccc(NC(=O)c3ccccc3)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CENPE Q02224 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MCL1 Q07820 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
ITGB3 P05106 1/20 0.44

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
SCHEMBL2103796 0.88 CENPE (0.62) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL13644419 0.84 TAS1R3 (0.46) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2630555 0.82 MAPT (0.47) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL4774274 0.82 TAS1R3 (0.44) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL4769873 0.82 SCD (0.45) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2104566 0.81 CENPE (0.61) MAPTMEN1KMT2AKDM4ECENPE
SCHEMBL10273448 0.81 MEN1 (0.42) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2617243 0.79 F10 (0.40) MAPTMEN1KMT2APOLBTDP1
SCHEMBL13644427 0.79 TAS1R3 (0.40) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL2630562 0.79 MAPT (0.47) MAPTMEN1KMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed