SCHEMBL9823893

SCHEMBL9823893

Oc1c(F)cc(Oc2ncc(C(F)(F)F)cc2F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 4/20 0.38
LIPE Q05469 1/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL9587283 0.83 RAB9A (0.52) RAB9ASCN9ASMN1; SMN2LMNALIPE
SCHEMBL10846099 0.80 RAB9A (0.74) RAB9ASCN9ASMN1; SMN2HPGDCYP1A2
SCHEMBL9823873 0.74 MRGPRX4 (0.42) RAB9ASCN9ASMN1; SMN2LMNALIPE
SCHEMBL8636196 0.74 RAB9A (0.67) RAB9ASCN9ASMN1; SMN2LMNALIPE
SCHEMBL9752071 0.74 POLB (0.52) RAB9ASCN9ASMN1; SMN2LMNALIPE
SCHEMBL6965934 0.73 CYP1A2 (0.38) RAB9ASCN9ASMN1; SMN2HPGDCYP1A2
SCHEMBL38661825 0.73 CYP1A2 (0.44) RAB9ASMN1; SMN2LMNAHPGDCYP1A2
SCHEMBL27906036 0.73 CYP1A2 (0.44) RAB9ASMN1; SMN2LMNAHPGDCYP1A2
SCHEMBL10845453 0.73 RAB9A (0.46) RAB9ASCN9ASMN1; SMN2LMNAKMT2A
SCHEMBL10986086 0.73 RAB9A (0.45) RAB9ASCN9ASMN1; SMN2LMNALIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142328-B1 FLUOROPHENOXY COMPOUNDS, HERBICIDAL COMPOSITIONS AND METHODS THE DOW CHEMICAL COMPANY (US) 1991-04-17 EP disclosed
US-4888050-A GRASS CONTROL THE DOW CHEMICAL COMPANY (US) 1989-12-19 US disclosed
US-4750931-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-14 US disclosed
EP-0142328-A2 Fluorophenoxy compounds, herbicidal compositions and methods THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP disclosed