SCHEMBL9216835

SCHEMBL9216835

Cn1nc(C(F)(F)F)c(N(C=O)c2ccc(F)cc2F)c1Oc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 6/20 0.45
CYP2C19 P33261 5/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.35
PTGER4 P35408 3/20 0.33
POLB P06746 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP2D6 P10635 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.31
DYRK3 O43781 1/20 0.31
PIM1 P11309 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
DYRK1A Q13627 1/20 0.31
NTRK3 Q16288 1/20 0.31

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
SCHEMBL9217214 0.90 NPSR1 (0.45) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9214398 0.88 NPSR1 (0.41) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9217007 0.81 LMNA (0.36) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9209425 0.80 LMNA (0.48) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9213951 0.80 NPSR1 (0.45) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9216348 0.80 LMNA (0.36) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9545491 0.78 LMNA (0.35) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9544901 0.77 LMNA (0.34) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9216480 0.77 POLB (0.46) NPSR1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9219938 0.75 LMNA (0.38) NPSR1LMNACYP1A2CYP2C19CYP2C9

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