SCHEMBL9080441

SCHEMBL9080441

Cn1nc(-c2ccc(Cl)cc2F)c(C(=O)O)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMO O15229 2/20 0.39
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
PTGER4 P35408 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 1/20 0.34
RORC P51449 2/20 0.34
LMNA P02545 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
F11 P03951 1/20 0.33
GABRA5 P31644 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
SCHEMBL6295365 0.83 HSD11B1 (0.36) CYP3A4CYP2C9CYP2C19MEN1HTT
SCHEMBL7505658 0.81 HSD11B1 (0.34) CYP3A4CYP2C9CYP2C19MEN1HTT
SCHEMBL7489479 0.74 KMO (0.45) MAPTKMOGRM2RORCKDM4C
SCHEMBL8474283 0.74 ESR1 (0.37)
SCHEMBL9081642 0.74 DRD1 (0.35) CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL7746904 0.73 SLC34A1 (0.43) CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4067916 0.73 NTRK1 (0.35)
SCHEMBL9081380 0.72 SLC34A1 (0.36)
SCHEMBL7889504 0.71 SLC34A1 (0.34) HTT
SCHEMBL8471677 0.71 AMY1A (0.38) KDM4EMAPTHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996015115-A1 HERBICIDAL PYRAZOLE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed