SCHEMBL17460293

SCHEMBL17460293

Cc1cc(Oc2ccc(C=O)cc2C#N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
ESRRA P11474 2/20 0.39
MAPT P10636 1/20 0.39
GRM2 Q14416 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
CYP3A4 P08684 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
FDPS P14324 1/20 0.38
AR P10275 1/20 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
SCHEMBL15813965 0.86 SLC22A12 (0.40) TTRESRRAMAPTALDH1A1TSHR
SCHEMBL14662745 0.85 SLC22A12 (0.42) TTRESRRAMAPTALDH1A1SLC22A12
SCHEMBL876021 0.82 ALDH1A1 (0.42) TTRESRRAMAPTALDH1A1TSHR
SCHEMBL15832083 0.82 TTR (0.43) TTRESRRAMAPTALDH1A1TSHR
SCHEMBL31276992 0.81 CYP3A4 (0.41) ESRRAAAK1CYP3A4SLC22A12AR
SCHEMBL14663488 0.81 CYP3A4 (0.41) ESRRAAAK1CYP3A4SLC22A12AR
SCHEMBL9889480 0.79 AR (0.56) TTRESRRAALDH1A1TSHRAR
SCHEMBL17467724 0.77 AR (0.49) TTRGRM2AAK1CYP3A4AR
SCHEMBL9889474 0.77 PLA2G7 (0.51) TTRESRRASLC22A12AR
SCHEMBL17460333 0.77 MAPT (0.47) TTRESRRAMAPTALDH1A1TSHR

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
WO-2016012916-A1 1,2,3,5-TETRAHYDROIMIDAZO[1,2-C]PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES AND DISORDERS MEDIATED BY LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-28 WO disclosed
WO-2016012916-A1 1,2,3,5-TETRAHYDROIMIDAZO[1,2-C]PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES AND DISORDERS MEDIATED BY LP-PLA2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-28 WO disclosed