SCHEMBL28172764

SCHEMBL28172764

c1ccc(Cc2ccccc2-c2ccncn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 1/20 0.43
▸ MAPK14 Q16539 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ MET P08581 1/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL28875070 0.86 CYP46A1 (0.39) CYP46A1MAPK14CYP11B1CYP11B2ALDH1A1
SCHEMBL28172765 0.85 IDO1 (0.51) CYP46A1MAPK14CASP6ALDH1A1CYP2D6
SCHEMBL24312483 0.79 CYP2D6 (0.43) CYP46A1CASP6ALDH1A1CYP2D6HSD17B10
SCHEMBL7503631 0.79 CASP6 (0.42) CYP46A1MAPK14CASP6CYP2D6MAPK13
SCHEMBL24312484 0.79 DPP4 (0.46) CYP46A1MAPK14CASP6CYP2D6MAPK13
SCHEMBL28144739 0.79 CASP6 (0.39) CYP46A1MAPK14CASP6ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL29473296 0.78 DPP4 (0.44) CYP46A1MAPK14CASP6CYP2D6MAPK13
SCHEMBL10601314 0.78 MAPK9 (0.43) CYP46A1MAPK14CASP6CYP2D6MAPK13
Hydrochloric Acid SCHEMBL23498194 0.75 TAAR1 (0.39) CASP6HTR2A
Hydrochloric Acid SCHEMBL29723641 0.75 TAAR1 (0.39) CASP6HTR2A

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
CN-107141295-A A kind of simple synthesis of uracil derivative 重庆文理学院 2017-09-08 — — CN disclosed
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