SCHEMBL10985263

SCHEMBL10985263

O=C(O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
MRGPRX4 Q96LA9 2/20 0.68
SMN1; SMN2 Q16637 5/20 0.61
LIPE Q05469 1/20 0.56
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 2/20 0.53
XBP1 P17861 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.52
FFAR1 O14842 1/20 0.52
KMO O15229 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR4A2 P43354 1/20 0.50

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
SCHEMBL10515714 0.88 RAB9A (0.70) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL10515255 0.87 RAB9A (0.65) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL10516486 0.86 RAB9A (0.64) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL6840320 0.86 SMN1; SMN2 (0.72) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL10515702 0.85 RAB9A (0.63) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL10515706 0.84 RAB9A (0.61) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL2365611 0.83 PPARG (0.63) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL10440879 0.83 RAB9A (0.72) RAB9ASMN1; SMN2LIPELMNAHPGD
SCHEMBL11125669 0.82 SMN1; SMN2 (0.77) RAB9AMRGPRX4SMN1; SMN2LIPELMNA
SCHEMBL11456016 0.82 RAB9A (1.00) RAB9AMRGPRX4SMN1; SMN2LIPELMNA

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
US-4539039-A Herbicidal (-3-fluoro-5-trifluoromethyl-pyridyl)oxy phenyloxime derivatives THE DOW CHEMICAL COMPANY (US) 1985-09-03 US disclosed
US-4401460-A Herbicidal phenoxypyridines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-30 US disclosed
EP-0021613-B1 PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, HERBICIDAL COMPOSITIONS CONTAINING THEM AND METHODS OF KILLING PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-06 EP disclosed
US-4308053-A PREEMERGENCE AND POSTEMERGENCE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-29 US disclosed
EP-0021613-A1 Pyridine derivatives, processes for preparing them, herbicidal compositions containing them and methods of killing plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-07 EP disclosed