SCHEMBL4439261

SCHEMBL4439261

Cc1[c]cccc1-c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
PDE2A O00408 9/20 0.40
PDE10A Q9Y233 1/20 0.38
MCL1 Q07820 2/20 0.36
IL2 P60568 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KDM1A O60341 1/20 0.35
EIF4E P06730 1/20 0.34
GPR3 P46089 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
SCHEMBL4437591 0.84 NOTUM (0.43) HSD11B1PDE2APDE10AGPR3
SCHEMBL4438081 0.82 GPR3 (0.34) HSD11B1GPR3
SCHEMBL4426238 0.79 PDE2A (0.40) PDE2APDE10A
SCHEMBL4608929 0.79 PTPN1 (0.38) PDE2APDE10A
SCHEMBL4431124 0.79 ELANE (0.36) HSD11B1EIF4E
SCHEMBL19785385 0.78 PDE2A (0.47) HSD11B1PDE2AMCL1IL2CTSS
SCHEMBL4428493 0.76 GABRA1 (0.34) HSD11B1PDE2APDE10A
SCHEMBL9522170 0.75 RORC (0.43) KDM1A
SCHEMBL6852286 0.75 KMT2A (0.43) HSD11B1
SCHEMBL3664940 0.73 MCL1 (0.36) HSD11B1PDE2AMCL1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed