SCHEMBL6818340

SCHEMBL6818340

COC(=O)/C=C/c1cccc(C(F)(F)F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
NFKB1 P19838 1/20 0.50
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6818344 1.00 MAOB (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL31568895 0.86 MAOB (0.72) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL6818320 0.86 MAOB (0.72) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL6818321 0.86 MAOB (0.72) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL9495004 0.85 MAOB (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL5575787 0.83 MAOB (0.55) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL1167413 0.81 NFKB1 (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL700920 0.81 NFKB1 (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL14930494 0.81 PTGS2 (0.54) MAOBMAPTMEN1KMT2ANFE2L2
SCHEMBL6821153 0.80 NFKB1 (0.54) MAOBNFKB1MAPTLMNAMEN1

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
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed