SCHEMBL6674825

SCHEMBL6674825

N=C(Nc1cc(CN)cc(C(F)(F)F)c1)N[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 6/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACP1 P24666 1/20 0.35
RAF1 P04049 3/20 0.34
BRAF P15056 3/20 0.34
TACR1 P25103 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
Hydrochloric Acid SCHEMBL6681155 0.99 P2RX1 (0.38) P2RX1CA12CA1CA2CA9
SCHEMBL7243745 0.78 CETP (0.38) P2RX1TMPRSS4GPR35LMNAMAPT
SCHEMBL6674828 0.77 SIGMAR1 (0.39) P2RX1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6681157 0.76 SIGMAR1 (0.40) P2RX1CA12CA1CA2CA9
SCHEMBL6674882 0.76 CFD (0.43) CA9
SCHEMBL10384367 0.76 MAPT (0.52) LMNAMAPTMEN1KMT2A
SCHEMBL6676196 0.75 CA9 (0.45) CA12CA1CA2CA9
SCHEMBL27494020 0.71 MAPT (0.37) P2RX1GPR35LMNAMAPTACP1
Hydrochloric Acid SCHEMBL27564400 0.70 MAPT (0.36) P2RX1GPR35LMNAMAPTRAF1
Nitric Acid SCHEMBL4476163 0.69 P2RX1 (0.48) P2RX1CA12CA1CA2CA9

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed