SCHEMBL3834047

SCHEMBL3834047

O=CCc1ccc(-n2cccn2)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
KMT2A Q03164 2/20 0.52
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NAMPT P43490 1/20 0.46
CXCR4 P61073 2/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CHRNA7 P36544 1/20 0.42
MERTK Q12866 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
USP1 O94782 2/20 0.40

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
SCHEMBL14638384 0.84 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL14410518 0.81 LMNA (0.54) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL17819775 0.81 KDM4E (0.60) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL1599534 0.81 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL29691288 0.81 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL18338880 0.81 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL30046017 0.81 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL17159482 0.81 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL4178530 0.81 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL951325 0.81 LMNA (0.53) LMNAKMT2AGRNSORT1KDM4E

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-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed