SCHEMBL9027971

SCHEMBL9027971

CNC(=O)OC(c1cnccc1Cl)c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.37
HTT P42858 1/20 0.36
LPAR1 Q92633 2/20 0.34
ROCK2 O75116 6/20 0.34
CTSA P10619 2/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9028582 0.84 SCN9A (0.40) LPAR1ROCK2
SCHEMBL9029347 0.73 ROCK2 (0.37) LPAR1ROCK2CTSAHPGDHSD17B10
SCHEMBL9028593 0.73 CNR1 (0.40) LPAR1ROCK2CTSA
SCHEMBL9028568 0.72 SCN9A (0.37) CRHR1CTSA
SCHEMBL9028891 0.71 LIMK1 (0.37) CRHR1CTSA
SCHEMBL8328842 0.70 NPC1 (0.38)
SCHEMBL28199354 0.70 HTT (0.46) CRHR1HTTLPAR1HSD17B10
SCHEMBL9899560 0.69 LPAR1 (0.51) LPAR1
SCHEMBL8550007 0.69 CTSA (0.33) ROCK2CTSA
SCHEMBL9028689 0.68 SCN9A (0.37) ROCK2

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
EP-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP disclosed