SCHEMBL3348571

SCHEMBL3348571

Cc1ccc(-c2ccc(-c3c(C)nc(-c4cccc(F)c4OCc4ccccc4)n(CCc4ccccc4)c3=O)s2)cn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.65
NR1I2 O75469 5/20 0.65
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
USP2 O75604 2/20 0.37

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
SCHEMBL3345154 0.91 CASR (0.67) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3344989 0.91 CASR (0.64) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3344800 0.89 CASR (0.74) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3346123 0.89 CASR (0.66) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3418642 0.88 CASR (0.69) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3344859 0.88 CASR (0.85) CASRNR1I2
SCHEMBL3387584 0.87 CASR (0.61) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3343271 0.87 CASR (0.79) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL4150118 0.87 CASR (0.63) CASRNR1I2CYP1A2ALDH1A1CYP3A4
SCHEMBL3344719 0.87 CASR (0.63) CASRNR1I2CYP1A2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039922-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed