SCHEMBL9775619

SCHEMBL9775619

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
AMY1A P0DUB6 1/20 0.48
VCAM1 P19320 1/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
TNF P01375 1/20 0.45
HSPA1A P0DMV8 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOD1 Q9Y239 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
ERN1 O75460 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9775615 1.00 HSD17B10 (0.55) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL8926615 0.79 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL8926620 0.79 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL27401905 0.79 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL11057769 0.79 AMY1A (0.48) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL9551018 0.78 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL9551019 0.78 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL307134 0.77 ERN1 (0.65) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL1051792 0.75 CYP1A2 (0.61) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL11061714 0.75 VCAM1 (0.57) HSD17B10CYP1A2CYP2D6AMY1AVCAM1

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-5009701-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed