SCHEMBL9851947

SCHEMBL9851947

O=C(NP(=O)(O)O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.64
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALPL P05186 1/20 0.57
MAPT P10636 2/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTT P42858 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL27967569 0.83 VCAM1 (0.70) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7973732 0.81 VCAM1 (0.68) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL922714 0.80 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27942773 0.79 VCAM1 (0.64) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4343389 0.79 ALDH1A1 (0.66) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1258621 0.79 VCAM1 (1.00) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4497059 0.78 ALDH1A1 (0.68) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6866237 0.78 VCAM1 (0.62) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.77 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.77 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E

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-0407583-A1 DERIVATIVES OF DICHLORANHYDRIDES OF ACYLAMIDOPHOSPHORIC ACIDS AND INSECTICIDAL, FUNGIDICIDAL AND HEMATOCIDAL PREPARATIONS BASED ON THEM KIEVSKY NAUCHNO-ISSLEDOVATELSKY INSTITUT EPIDEMIOLOGII I INFEKTSIONNYKH BOLEZNEI IMENI L.V. GROMASCHEVSKOGO (SU) 1991-01-16 EP disclosed