SCHEMBL9308709

SCHEMBL9308709

C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)CCl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.45
AMY1A P0DUB6 1/20 0.45
ERN1 O75460 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.43
VCAM1 P19320 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 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
SCHEMBL9308714 1.00 MAPT (0.52) MAPTHSD17B10HTTKMT2AAMY1A
SCHEMBL9328885 0.84 MAPT (0.52) MAPTHSD17B10HTTKMT2ACYP1A2
SCHEMBL9328889 0.84 MAPT (0.52) MAPTHSD17B10HTTKMT2ACYP1A2
SCHEMBL9656954 0.82 MAPT (0.50) MAPTHSD17B10HTTKMT2ARAB9A
SCHEMBL9328911 0.82 MAPT (0.50) MAPTHSD17B10HTTKMT2ARAB9A
SCHEMBL9399639 0.80 GLO1 (0.57) MAPTHSD17B10HTTKMT2AAMY1A
SCHEMBL9331270 0.80 MAPT (0.53) MAPTHSD17B10HTTKMT2AAMY1A
SCHEMBL9331266 0.80 MAPT (0.53) MAPTHSD17B10HTTKMT2AAMY1A
SCHEMBL9551016 0.79 MAPT (0.56) MAPTHSD17B10HTTKMT2AAMY1A
SCHEMBL9384129 0.79 MAPT (0.56) MAPTHSD17B10HTTKMT2AAMY1A

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