SCHEMBL11872129

SCHEMBL11872129

COCc1ccc([N+](=O)[O-])o1.O=C1OC(OC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.33
ENO1 P06733 1/20 0.33
HPGD P15428 1/20 0.33
CCKBR P32239 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CASP6 P55212 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL436038 0.79 LMNA (0.56) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL14582812 0.65 LMNA (0.53) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL11872132 0.65 LMNA (0.38) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL14613398 0.65 LMNA (0.56) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL1134756 0.65 LMNA (0.56) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL436082 0.64 LMNA (0.51) LMNAPOLBCASP6MAPTKMT2A
SCHEMBL18720617 0.64 LMNA (0.51) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL18742055 0.63 LMNA (0.50) LMNAPOLBENO1SMN1; SMN2MAPT
SCHEMBL4871308 0.63 LMNA (0.50) LMNAPOLBMAPTKMT2AALDH1A1
SCHEMBL5543148 0.62 LMNA (0.53) LMNAPOLBSMN1; SMN2MAPTKMT2A

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
US-3932509-A FUNGICIDES, VIRICIDES CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed