SCHEMBL10129494

SCHEMBL10129494

Cc1c(-c2ccc(F)cc2)nc(N(C)C)nc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.46
ALDH1A1 P00352 2/20 0.39
HMGCR P04035 2/20 0.39
CYP3A4 P08684 1/20 0.39
PDE6D O43924 1/20 0.39
NR1I2 O75469 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NUDT1 P36639 1/20 0.36
GAA P10253 1/20 0.35
HTR2A P28223 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
SCHEMBL6869840 0.88 GCGR (0.44) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL10129544 0.85 KDM5B (0.41) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL13010709 0.84 GCGR (0.43) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL431291 0.84 HMGCR (0.55) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL10129501 0.84 HMGCR (0.38) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL10129522 0.82 GCGR (0.57) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL7913752 0.82 HMGCR (0.46) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL15024879 0.82 GCGR (0.41) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL10129495 0.81 GCGR (0.43) GCGRALDH1A1HMGCRCYP3A4PDE6D
SCHEMBL20146246 0.81 GCGR (0.43) GCGRALDH1A1HMGCRCYP3A4PDE6D

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-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed