SCHEMBL10352111

SCHEMBL10352111

Nc1ccc(N)cc1.O=[N+]([O-])c1ccc(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
ATM Q13315 1/20 0.43
PDE7A Q13946 5/20 0.42
HIF1A Q16665 1/20 0.42
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
VCAM1 P19320 1/20 0.40
CASP6 P55212 1/20 0.39
PDE7B Q9NP56 1/20 0.39
GPR35 Q9HC97 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TXNRD1 Q16881 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
SCHEMBL73931 0.91 TDP1 (0.50) TDP1TSHRALDH1A1CYP3A4ATM
SCHEMBL10352112 0.86 PDE7A (0.42) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL3712466 0.77 MEN1 (0.43) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL938956 0.77 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL3077412 0.77 TDP1 (0.52) TDP1TSHRALDH1A1CYP3A4ATM
SCHEMBL30946522 0.77 TDP1 (0.52) TDP1TSHRALDH1A1CYP3A4ATM
SCHEMBL1340438 0.76 ALDH1A1 (0.43) TDP1TSHRALDH1A1CYP3A4ATM
SCHEMBL29860351 0.76 ALDH1A1 (0.43) TDP1TSHRALDH1A1CYP3A4ATM
SCHEMBL28798959 0.76 ATM (0.38) TDP1TSHRALDH1A1ATMHIF1A
SCHEMBL15347823 0.76 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4ALOX15

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
EP-0107832-B1 STABLE ALLERGENIC EXTRACTS AND METHODS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-09-19 EP disclosed