SCHEMBL6684630

SCHEMBL6684630

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.37
P2RX1 P51575 5/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACP1 P24666 1/20 0.34
TACR1 P25103 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL7243748 0.86 CETP (0.36) P2RX1LMNAALDH1A1TMPRSS4SIGMAR1
SCHEMBL6674828 0.83 SIGMAR1 (0.39) GPR35P2RX1LMNAALDH1A1TMPRSS4
Hydrochloric Acid SCHEMBL6681157 0.82 SIGMAR1 (0.40) GPR35P2RX1LMNAALDH1A1TMPRSS4
SCHEMBL27494437 0.80 LMNA (0.46) GPR35P2RX1LMNAALDH1A1MAPT
SCHEMBL27404738 0.73 P2RX1 (0.40) P2RX1LMNAALDH1A1TMPRSS4MAPT
SCHEMBL11881940 0.71 KIF11 (0.51) SIGMAR1MAPTCA12CA1CA2
SCHEMBL27385426 0.70 TACR1 (0.42) ALDH1A1MEN1KMT2ATACR1
SCHEMBL24327548 0.67 MTOR (0.53) P2RX1LMNAALDH1A1TACR1
Acetic Acid SCHEMBL6681851 0.66 NOS1 (0.47) ALDH1A1SIGMAR1CA12CA1CA2
SCHEMBL24327446 0.65 MTOR (0.48) P2RX1LMNAMAPTACP1TACR1

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 disclosed