SCHEMBL8745951

SCHEMBL8745951

Cn1c(C(O)c2ccccc2C(F)(F)F)cnc1S

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
HSD11B1 P28845 4/20 0.37
ACP3 P15309 1/20 0.37
MC4R P32245 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CNR2 P34972 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SCD O00767 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
TRPA1 O75762 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
SCHEMBL8745905 0.78 RBP4 (0.40) HSD11B1ACP3MC4RALDH1A1LMNA
SCHEMBL8745970 0.77 HSD11B1 (0.41) HSD11B1ACP3MC4ROPRM1OPRD1
SCHEMBL9776265 0.72 ACP3 (0.50) GAAACP3MC4RALDH1A1LMNA
SCHEMBL30903830 0.72 ACP3 (0.50) GAAACP3MC4RALDH1A1LMNA
SCHEMBL24176794 0.70 CYP1A2 (0.39) SMN1; SMN2ACP3ALDH1A1LMNACNR2
SCHEMBL3289370 0.69 ACP3 (0.57) SMN1; SMN2ACP3CNR2OPRM1OPRD1
SCHEMBL3294921 0.69 ACP3 (0.57) SMN1; SMN2ACP3CNR2OPRM1OPRD1
SCHEMBL30986703 0.69 ACP3 (0.57) SMN1; SMN2ACP3CNR2OPRM1OPRD1
SCHEMBL24176795 0.68 TRPC5 (0.39) ACP3ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL13114035 0.67 LMNA (0.39) TSHRSMN1; SMN2GAAALDH1A1LMNA

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
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed