SCHEMBL8570027

SCHEMBL8570027

Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)c(F)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ AR P10275 1/20 0.43
▸ LMNA P02545 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL1147722 0.74 HSD17B3 (0.51) CA9MAOALMNAMEN1MAPT
SCHEMBL8108546 0.71 CA12 (0.55) CA12CA9MAOAMAOBLMNA
SCHEMBL1095047 0.71 HSD17B3 (0.44) CA9MAOAMEN1MAPTKMT2A
SCHEMBL7115025 0.70 MAOB (0.48) CA12CA9MAOAMAOBNPC1
SCHEMBL9695853 0.65 ADORA3 (0.47) MAOAMAOBLMNANPC1MEN1
SCHEMBL5326900 0.64 ALDH1A1 (0.60) LMNAERAP1NPC1MEN1MAPT
SCHEMBL6584683 0.64 KDM4E (0.71) MAOBLMNAERAP1MEN1MAPT
SCHEMBL28226496 0.64 PTPRS (0.71) ARNPC1MEN1MAPTKMT2A
SCHEMBL1513142 0.64 APP (0.50) CA12CA9LMNAMAPTALDH1A1
SCHEMBL27586405 0.64 AR (0.62) CA12CA9MAOAARLMNA

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-5830912-A Derivatives of 6,8-difluoro-7-hydroxycoumarin MOLECULAR PROBES, INC. (US) 1998-11-03 — — US disclosed
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