SCHEMBL7355410

SCHEMBL7355410

NC(=N[N+](=O)[O-])NCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.50
ADRA1A P35348 1/20 0.47
PLA2G2A P14555 1/20 0.44
MAPK1 P28482 1/20 0.42
PLA2G4A P47712 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
EPHX2 P34913 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 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
SCHEMBL7431673 1.00 PRMT1 (0.50) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL17234482 0.86 LMNA (0.38) PRMT1PLA2G2ALMNAKDM4EALDH1A1
SCHEMBL22578660 0.78 F2 (0.36) LMNAF2
SCHEMBL8944734 0.78 PRMT1 (0.59) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL585705 0.75 PRMT1 (0.55) PRMT1ADRA1APLA2G2AMAPK1LMNA
SCHEMBL22765153 0.73 NOS1 (0.36) LMNACYP2C9CYP2C19ALDH1A1F2
Phosphoric Acid SCHEMBL7161899 0.73 EPHX1 (0.42) EPHX1F2
SCHEMBL9307514 0.73 PRMT1 (0.68) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL2028710 0.73 PRMT1 (0.68) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A
SCHEMBL11039434 0.73 PRMT1 (0.68) PRMT1ADRA1APLA2G2AMAPK1PLA2G4A

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-5258398-A Anticoagulants; platelet aggregation inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-11-02 US disclosed
WO-1993011759-A1 ANTITHROMBOTIC DIAMINOALKANOIC ACID DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-06-24 WO disclosed