SCHEMBL8548980

SCHEMBL8548980

OC(c1ccccc1C(F)(F)F)c1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.38
P2RX7 Q99572 2/20 0.38
CNR2 P34972 2/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
TNF P01375 2/20 0.35
MEN1 O00255 1/20 0.35
CXCL8 P10145 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
HSD11B1 P28845 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GRM4 Q14833 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
RPS6KA5 O75582 1/20 0.34

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
SCHEMBL950804 0.83 SMN1; SMN2 (0.45) LMNASMN1; SMN2KCNA5
SCHEMBL8548569 0.82 ACP3 (0.36) ACP3P2RX7CNR2ADAMTS5TNF
SCHEMBL4705535 0.81 ACP3 (0.38) ACP3P2RX7CNR2ADAMTS5TNF
SCHEMBL30903830 0.81 ACP3 (0.50) ACP3P2RX7CNR2LMNA
SCHEMBL9776265 0.81 ACP3 (0.50) ACP3P2RX7CNR2LMNA
SCHEMBL8546018 0.76 TNF (0.38) ACP3P2RX7CNR2TNFSMN1; SMN2
SCHEMBL29388965 0.75 RPS6KA5 (0.45) TNFMEN1CXCL8KMT2APAX8
SCHEMBL120643 0.75 RPS6KA5 (0.45) TNFMEN1CXCL8KMT2APAX8
SCHEMBL10627187 0.75 SMN1; SMN2 (0.47) MEN1KMT2ALMNASMN1; SMN2KCNA5
Hydrochloric Acid SCHEMBL30667166 0.74 RPS6KA5 (0.44) TNFMEN1CXCL8KMT2APAX8

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