SCHEMBL11548743

SCHEMBL11548743

Cc1ccc(-c2c([N+](=O)[O-])oc3ccc(C)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ATM Q13315 1/20 0.48
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
HNF4A P41235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
CYP3A4 P08684 3/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL11543503 0.91 L3MBTL1 (0.51) MAPTATMMAOBHNF4AL3MBTL1
SCHEMBL10756488 0.88 MAPT (0.41) MAPTATMMMP2MMP9MMP8
SCHEMBL10761966 0.88 MAPT (0.41) MAPTATMMMP2MMP9MMP8
SCHEMBL10755663 0.88 MAPT (0.44) MAPTATMMMP2MMP9MMP8
SCHEMBL10759144 0.88 MAPT (0.41) MAPTATMMMP2MMP9MMP8
Hydrochloric Acid SCHEMBL10759923 0.87 MAPT (0.40) MAPTATMMMP2MMP9MMP8
SCHEMBL10762723 0.87 MAPK1 (0.43) MAPTATMMMP2MMP9MMP8
SCHEMBL11552366 0.86 MAPT (0.43) MAPTATMMMP2MMP9MMP8
Hydrochloric Acid SCHEMBL10763734 0.85 POLB (0.40) MAPTATMMMP2MMP9MMP8
SCHEMBL10755874 0.84 HRH3 (0.40) MAPTATMMMP2MMP9MMP8

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-4141990-A BACTERICIDES, FUNGICIDES RIKER LABORATORIES, INC. (US) 1979-02-27 US disclosed