SCHEMBL11099698

SCHEMBL11099698

N#Cc1cc([N+](=O)[O-])ccc1Oc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.62
PLA2G7 Q13093 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
EYA2 O00167 1/20 0.43
ESRRA P11474 1/20 0.42
PDE7A Q13946 1/20 0.42
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL11091912 0.88 VCAM1 (0.60) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL11092797 0.88 VCAM1 (0.64) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL11092189 0.83 VCAM1 (0.57) VCAM1PLA2G7LMNASMN1; SMN2HTT
SCHEMBL11088409 0.83 VCAM1 (0.60) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL11094531 0.82 VCAM1 (0.62) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL29686243 0.82 VCAM1 (0.62) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL3487806 0.82 VCAM1 (0.62) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL11096541 0.81 VCAM1 (0.57) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL11096315 0.80 VCAM1 (0.60) VCAM1PLA2G7HSD17B10LMNASMN1; SMN2
SCHEMBL11099104 0.80 VCAM1 (0.51) VCAM1PLA2G7LMNASMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332820-A ESPECIALLY EFFECTIVE AGAINST PICORNOVIRUSES THE DOW CHEMICAL COMPANY (US) 1982-06-01 US claimed
EP-0034263-B1 SUBSTITUTED BENZONITRILES AND COMPOSITIONS FOR INHIBITING VIRUSES THE DOW CHEMICAL COMPANY (US) 1984-09-26 EP disclosed
US-4332820-A ESPECIALLY EFFECTIVE AGAINST PICORNOVIRUSES THE DOW CHEMICAL COMPANY (US) 1982-06-01 US disclosed
EP-0034263-A2 Substituted benzonitriles and compositions for inhibiting viruses THE DOW CHEMICAL COMPANY (US) 1981-08-26 EP disclosed