SCHEMBL6852162

SCHEMBL6852162

CCCS(=O)(=O)Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGES2 Q9H7Z7 2/20 0.42
BRD4 O60885 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALDH3A1 P30838 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
BRAF P15056 1/20 0.39
MAP2K4 P45985 2/20 0.39
KMO O15229 1/20 0.38
KIT P10721 1/20 0.38
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37

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
SCHEMBL6859176 0.90 ATM (0.49) ATMTDP1PTGES2MAPTALDH1A1
SCHEMBL3622509 0.81 ATM (0.51) ATMTDP1CYP3A4CYP2C9MAPT
SCHEMBL3515437 0.77 HCAR3 (0.52) ATMTDP1MAPTALDH1A1MAPK1
SCHEMBL856209 0.76 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19HSD17B10LMNA
SCHEMBL31481963 0.76 MAPT (0.57) ATMTDP1MAPTALDH1A1MAPK1
SCHEMBL3512219 0.76 MAPT (0.57) ATMTDP1MAPTALDH1A1MAPK1
SCHEMBL2060752 0.75 ATM (0.53) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL14964656 0.75 ALDH1A1 (0.55) CYP3A4CYP2C9CYP2C19BRD4MAPT
SCHEMBL1283854 0.74 MAPT (0.54) ATMTDP1MAPTALDH1A1MAPK1
SCHEMBL29705127 0.74 TDP1 (0.58) ATMTDP1CYP3A4CYP2C9CYP2C19

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
EP-1406884-A1 ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2004-04-14 EP disclosed
WO-2002092585-A1 NOVEL, ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2002-11-21 WO disclosed