SCHEMBL9308717

SCHEMBL9308717

CC(Cl)C=Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
AMY1A P0DUB6 1/20 0.46
VCAM1 P19320 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TNF P01375 1/20 0.43
HSPA1A P0DMV8 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOD1 Q9Y239 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERN1 O75460 1/20 0.41

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
SCHEMBL27401905 0.80 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL27276845 0.77 CYP1A2 (0.47) HSD17B10CYP1A2CYP2D6AMY1AKMT2A
SCHEMBL8926615 0.77 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL8926620 0.77 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL28450400 0.76 ALDH1A1 (0.45) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL28447208 0.76 ALDH1A1 (0.45) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL9551018 0.76 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL9551019 0.76 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6AMY1AVCAM1
SCHEMBL9756705 0.75 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6KMT2AMAPT
SCHEMBL9756703 0.75 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296451-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed
US-5296452-A Herbicidal 3-(3,4,5,6-tetrahydrophthalimido)-cinnamic esters BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed
US-5009701-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed