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SCHEMBL3420596

SCHEMBL3420596

Cc1nc(-c2cccc(F)c2OCc2ccccc2)n(CCc2ccccc2)c(=O)c1-c1cc(-c2ccnn2C)c(C)s1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 18/20 0.61
▸ NR1I2 O75469 5/20 0.54
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL3420716 0.90 CASR (0.61) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3419845 0.88 NR1I2 (0.52) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3345007 0.88 CASR (0.80) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3416445 0.88 CASR (0.77) CASRNR1I2
SCHEMBL3416178 0.87 CASR (0.60) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3383643 0.87 CASR (0.60) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3417713 0.86 CASR (0.61) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3345000 0.86 CASR (0.60) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3416649 0.86 CASR (0.59) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3385555 0.86 CASR (0.59) CASRNR1I2ALDH1A1LMNACYP1A2

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-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 — — WO disclosed