SCHEMBL14508830

SCHEMBL14508830

CCCCc1ccc(Sc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2c(Sc4ccc(CCCC)cc4)c(Cl)cc(Nc4ccc(C)cc4)c2C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

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
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ XBP1 P17861 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ UNG P13051 3/20 0.33
▸ ACLY P53396 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPK1 P28482 2/20 0.32

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
SCHEMBL14507795 0.85 HPGD (0.40) MAPTSMN1; SMN2HPGDXBP1ATM
SCHEMBL21969116 0.80 MAPT (0.42) P2RY4P2RY12MAPTSMN1; SMN2HPGD
SCHEMBL13110649 0.79 HPGD (0.36) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14508829 0.75 MEN1 (0.38) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14508827 0.75 P2RY2 (0.36) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL14534442 0.74 P2RY2 (0.36) P2RY2P2RY1P2RY4P2RY6P2RY12
SCHEMBL1476038 0.74 HPGD (0.50) MAPTSMN1; SMN2HPGDXBP1ATM
SCHEMBL9438202 0.73 BACE1 (0.49) MAPTSMN1; SMN2HPGDXBP1ATM
SCHEMBL29699621 0.70 UNG (0.51) MAPTHPGDTP53HSD17B10UNG
SCHEMBL13962364 0.69 UNG (0.53) MAPTTP53HSD17B10UNGALDH1A1

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