SCHEMBL7913985

SCHEMBL7913985

COC(=O)/C(Cl)=C/c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
RORC P51449 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7913986 1.00 MAPT (0.52) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL9307154 0.86 MAPT (0.52) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL9307151 0.86 MAPT (0.52) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL7900591 0.85 GLO1 (0.49) MAPTHSD17B10KMT2ANPSR1MAPK1
SCHEMBL7900595 0.85 GLO1 (0.49) MAPTHSD17B10KMT2ANPSR1MAPK1
SCHEMBL11553203 0.84 MAPT (0.50) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL9329170 0.82 MAPT (0.48) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL9328408 0.82 MAPT (0.48) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL9328911 0.78 MAPT (0.50) MAPTHSD17B10HTTKMT2ARORC
SCHEMBL9329145 0.78 CYP1A2 (0.47) MAPTHSD17B10HTTKMT2ARORC

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-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
US-5237089-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-5062884-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-11-05 US disclosed