SCHEMBL9706496

SCHEMBL9706496

NC(=O)c1ccc(OCc2ccccc2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PARP10 Q53GL7 2/20 0.49
▸ FOLH1 Q04609 1/20 0.47
▸ KDM1A O60341 2/20 0.45
▸ SGMS2 Q8NHU3 2/20 0.44
▸ PARP15 Q460N3 1/20 0.44

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
SCHEMBL23046594 0.88 PARP1 (0.50) PARP1HTTLMNASIRT2MAPT
SCHEMBL9650260 0.88 FOLH1 (0.56) LMNAMAPTL3MBTL1MRGPRX4NPC1
SCHEMBL9183339 0.85 F10 (0.45) HTTMAPTL3MBTL1MRGPRX4NPC1
SCHEMBL9706350 0.85 L3MBTL1 (0.49) LMNAMAPTL3MBTL1MRGPRX4NPC1
SCHEMBL9341896 0.85 MAPT (0.63) LMNAMAPTL3MBTL1MRGPRX4NPC1
Hydrochloric Acid SCHEMBL9183067 0.84 F2 (0.44) HTTMAPTL3MBTL1MRGPRX4NPC1
SCHEMBL19285699 0.81 KDM1A (0.50) PARP1HTTLMNAMAPTL3MBTL1
SCHEMBL30765090 0.80 HTT (0.48) HTTMRGPRX4PARP10PARP15
SCHEMBL30184648 0.80 PARP1 (0.54) PARP1HTTSIRT2MAPTL3MBTL1
SCHEMBL718082 0.79 PARP1 (0.79) PARP1HTTLMNAMAPTNPC1

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
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 — — EP disclosed
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