SCHEMBL9216480

SCHEMBL9216480

Cn1nc(C(F)(F)F)c(N(C=O)c2ccc(F)cc2)c1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 5/20 0.43
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGER2 P43116 1/20 0.38
TP53 P04637 1/20 0.36
P2RY1 P47900 1/20 0.36
KDM4E B2RXH2 2/20 0.35
EGFR P00533 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9216835 0.77 NPSR1 (0.57) POLBSMN1; SMN2PTGER4NPSR1LMNA
SCHEMBL9214398 0.77 NPSR1 (0.41) SMN1; SMN2PTGER4NPSR1LMNAMAPT
SCHEMBL9544900 0.77 POLB (0.55) POLBSMN1; SMN2PTGER4NPSR1LMNA
SCHEMBL31019722 0.73 POLB (0.53) POLBSMN1; SMN2PTGER4NPSR1LMNA
SCHEMBL9217214 0.72 NPSR1 (0.45) SMN1; SMN2PTGER4NPSR1LMNAMAPT
SCHEMBL9545283 0.71 PTGER4 (0.66) POLBSMN1; SMN2PTGER4NPSR1LMNA
SCHEMBL31019699 0.71 POLB (0.51) POLBSMN1; SMN2PTGER4NPSR1LMNA
SCHEMBL9208819 0.70 CYP1A2 (0.48) SMN1; SMN2NPSR1LMNAMAPTMAPK1
SCHEMBL9545482 0.68 CYP1A2 (0.46) POLBSMN1; SMN2NPSR1LMNAMAPT
SCHEMBL9218287 0.68 CYP1A2 (0.44) SMN1; SMN2NPSR1LMNAMAPTMAPK1

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-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP claimed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO claimed
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed