SCHEMBL14534442

SCHEMBL14534442

Cc1ccc(Sc2ccc(Nc3ccc(CI)cc3)c3c2C(=O)c2c(Sc4ccc(C)cc4)c(C#N)cc(Nc4ccc(CI)cc4)c2C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 2/20 0.36
▸ P2RY1 P47900 2/20 0.36
▸ P2RY4 P51582 2/20 0.36
▸ P2RY6 Q15077 2/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ TBXA2R P21731 3/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TP53 P04637 1/20 0.31

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
SCHEMBL14508829 0.88 MEN1 (0.38) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14508830 0.74 P2RY2 (0.36) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14507795 0.68 HPGD (0.40) ALDH1A1MAPTTP53
SCHEMBL10729179 0.65 MAPT (0.56) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14508828 0.65 P2RY2 (0.40) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL9438085 0.65 NPC1 (0.55) P2RY2P2RY4ALDH1A1MAPTTP53
SCHEMBL21969116 0.64 MAPT (0.42) P2RY4P2RY12MAPTTP53
SCHEMBL11603194 0.63 MAPT (0.50) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14508831 0.63 MAPT (0.50) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL10935194 0.63 MAPT (0.50) P2RY2P2RY1P2RY4P2RY6P2RY12

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
US-7220465-B2 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJIFILM CORPORATION (JP) 2007-05-22 — — US disclosed
Send feedback