SCHEMBL8546018

SCHEMBL8546018

OC(c1cnccc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
TYK2 P29597 1/20 0.37
ACP3 P15309 1/20 0.36
CNR2 P34972 1/20 0.36
P2RX7 Q99572 2/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNA5 P22460 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RBP4 P02753 1/20 0.35
GAA P10253 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
GPBAR1 Q8TDU6 3/20 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
SCHEMBL8327409 0.79 NPC1 (0.38) KDM4EALDH1A1MAPTSMN1; SMN2RBP4
SCHEMBL30903830 0.79 ACP3 (0.50) ACP3CNR2P2RX7ALDH1A1GAA
SCHEMBL9776265 0.79 ACP3 (0.50) ACP3CNR2P2RX7ALDH1A1GAA
SCHEMBL12317610 0.76 ACP3 (0.44) ACP3CNR2HSD17B10KDM4EALDH1A1
SCHEMBL8548980 0.76 ACP3 (0.38) TNFACP3CNR2P2RX7KCNA5
SCHEMBL9028689 0.75 SCN9A (0.37) TNFTYK2CNR2RBP4SLC22A12
SCHEMBL8745920 0.75 PIEZO1 (0.38) TNFACP3CNR2KCNA5GAA
SCHEMBL8017634 0.74 SMN1; SMN2 (0.55) ACP3HPGDHSD17B10KCNA5ALDH1A1
SCHEMBL9028582 0.74 SCN9A (0.40) TNFTYK2CNR2P2RX7SLC22A12
SCHEMBL9030025 0.74 GPBAR1 (0.38) TYK2MAPTGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695292-B1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5585327-A PRE- AND POST-EMERGENCE HERBICIDES ZENECA LIMITED (GB) 1996-12-17 US disclosed
EP-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP disclosed
WO-1994024106-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1994-10-27 WO disclosed
US-5308826-A Pre- and postemergence herbicides; controlling weeds, particularly broad leaf plants and grasses ZENECA LIMITED (GB) 1994-05-03 US disclosed