SCHEMBL6818320

SCHEMBL6818320

COC(=O)/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.72
NFKB1 P19838 1/20 0.68
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
P4HB P07237 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
MAOA P21397 1/20 0.56
BACE1 P56817 1/20 0.56
NFE2L2 Q16236 2/20 0.55
GAA P10253 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL31568895 1.00 MAOB (0.72) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL6818321 1.00 MAOB (0.72) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL6818340 0.86 MAOB (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL6818344 0.86 MAOB (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL9495004 0.86 MAOB (0.56) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL5575787 0.84 MAOB (0.55) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL4080471 0.83 MAOB (0.65) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL4080473 0.83 MAOB (0.65) MAOBNFKB1MAPTLMNAMEN1
SCHEMBL10438847 0.82 ALDH1A1 (0.58) MAOBMAPTLMNAMEN1KMT2A
SCHEMBL69522 0.82 ALDH1A1 (0.58) MAOBMAPTLMNAMEN1KMT2A

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-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
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