SCHEMBL8091607

SCHEMBL8091607

Cc1cc(F)cc([N+](=O)[O-])c1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 7/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL30949511 1.00 TDP1 (0.44) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL12066584 0.84 TDP1 (0.52) TDP1ATMTSHRALDH1A1CYP3A4
SCHEMBL10685212 0.83 CYP1A2 (0.55) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL9699609 0.83 GPR35 (0.55) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL13304834 0.82 ALDH1A1 (0.61) TDP1HSD17B10TSHRALDH1A1CYP3A4
SCHEMBL20942956 0.81 CYP1A2 (0.47) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL4748223 0.80 TDP1 (0.54) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL14203410 0.80 TSHR (0.47) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL3293461 0.80 TDP1 (0.41) TDP1ATMHSD17B10TSHRALDH1A1
SCHEMBL3296412 0.80 ALDH1A1 (0.47) TDP1ATMHSD17B10TSHRALDH1A1

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-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed