SCHEMBL6997147

SCHEMBL6997147

COc1ccc(CSc2ccc([N+](=O)[O-])c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
APP P05067 1/20 0.49
DAO P14920 1/20 0.44
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TXNRD1 Q16881 1/20 0.41
GFER P55789 1/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41

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
SCHEMBL10048843 0.85 ALDH1A1 (0.50) MAOBMAOAAPPDAOALDH1A1
SCHEMBL27224963 0.82 MEN1 (0.49) MAOBMAOAALDH1A1LMNAMAPT
SCHEMBL19255108 0.81 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2ATM
SCHEMBL7002851 0.80 KMT2A (0.50) MAOBMAOAAPPALDH1A1LMNA
SCHEMBL28070731 0.78 APP (0.60) MAOBMAOAAPPALDH1A1LMNA
SCHEMBL572373 0.77 PTGES (0.55) MAOBAPPLMNAMAPTSMN1; SMN2
SCHEMBL29445159 0.77 TDP1 (0.58) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6520 0.77 TDP1 (0.58) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL31011691 0.77 ALDH1A1 (0.51) ALDH1A1LMNAHTTNCOA1NCOA3
SCHEMBL6997741 0.77 MAOB (0.56) MAOBMAOAAPPDAOLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086078-B1 NEUROPEPTIDE Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
US-6329395-B1 UREA DERIVATIVES FOR TREATING AN EATING DISORDER OR DIABETES COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF CLAIM 1 TO A MAMMAL SCHERING CORPORATION 2001-12-11 US disclosed
EP-1086078-A1 NEUROPEPTIDE Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-03-28 EP disclosed
WO-1999064394-A1 NEUROPEPTIDE Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1999-12-16 WO disclosed