SCHEMBL3387700

SCHEMBL3387700

Cc1nc(-c2cc(-c3c(C)nc(-c4cccc(F)c4OCc4ccccc4)n(CCc4ccccc4)c3=O)sc2C)cs1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.64
NR1I2 O75469 5/20 0.53
ALDH1A1 P00352 2/20 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
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GNRHR P30968 1/20 0.35

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
SCHEMBL4153069 0.91 CASR (0.62) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3383535 0.90 CASR (0.53) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3345007 0.89 CASR (0.80) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3417713 0.88 CASR (0.61) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3420458 0.88 CASR (0.79) CASRNR1I2
SCHEMBL3345988 0.87 CASR (0.64) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL5027389 0.87 CASR (0.70) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3345000 0.86 CASR (0.60) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3383643 0.85 CASR (0.60) CASRNR1I2ALDH1A1LMNACYP1A2
SCHEMBL3416178 0.85 CASR (0.60) 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