SCHEMBL7330416

SCHEMBL7330416

N=C(N)c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.61
TMPRSS15 P98073 2/20 0.58
MAPT P10636 4/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
F10 P00742 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MDM2 Q00987 1/20 0.46
HPSE Q9Y251 1/20 0.46

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
SCHEMBL7328928 0.93 PRSS1 (0.55) PRSS1TMPRSS15MAPTKMT2ACYP1A2
SCHEMBL28359563 0.87 CASP6 (0.57) MAPTKMT2ACYP1A2CYP2C9CA12
Guanidine SCHEMBL1486812 0.86 MAPT (0.68) MAPTKMT2ACYP1A2CYP2C9CA12
SCHEMBL11363725 0.85 MAPT (0.54) PRSS1TMPRSS15MAPTKMT2ACYP1A2
SCHEMBL7325158 0.85 PRSS1 (0.56) PRSS1TMPRSS15MAPTKMT2AF10
SCHEMBL30727558 0.82 MAPT (0.71) MAPTKMT2ACYP1A2CYP2C9CA12
SCHEMBL527543 0.82 MAPT (0.71) MAPTKMT2ACYP1A2CYP2C9CA12
SCHEMBL7319750 0.82 PRSS1 (0.66) PRSS1TMPRSS15MAPTKMT2ALMNA
SCHEMBL11474202 0.82 MAPT (0.61) MAPTKMT2ACYP1A2CYP2C9CA12
SCHEMBL27727201 0.81 MAPT (0.52) MAPTKMT2ACYP1A2CYP2C9CA12

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
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed