SCHEMBL3664940

SCHEMBL3664940

Cc1ccc(Cl)c(-c2cc(C(F)(F)F)c[c]c2C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
PTPN1 P18031 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PDE2A O00408 7/20 0.34
KIF11 P52732 2/20 0.33
CTSA P10619 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 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
SCHEMBL4439962 0.83 MEN1 (0.34) PDE2AALDH1A1LMNACTSSCTSK
SCHEMBL5086316 0.80 ALKBH3 (0.35) ALDH1A1LMNAL3MBTL1
SCHEMBL26463529 0.76 MCL1 (0.47) MCL1PTPN1HSP90AA1PDE2AKIF11
SCHEMBL3411258 0.74 KDM1A (0.38) MCL1PDE2AALDH1A1CYP1A2L3MBTL1
SCHEMBL3410621 0.74 NOTUM (0.46) PDE2AKIF11CYP1A2
SCHEMBL4609341 0.74 ALKBH3 (0.34) ALDH1A1LMNA
SCHEMBL3664944 0.73 RAPGEF4 (0.35) MCL1HSP90AA1HSD11B1PDK1PDK2
SCHEMBL4439261 0.73 HSD11B1 (0.42) MCL1PDE2ACTSSCTSKHSD11B1
SCHEMBL4426433 0.72 HTR2B (0.36) PDE2AALDH1A1HSD11B1
SCHEMBL19785385 0.70 PDE2A (0.47) MCL1PDE2AALDH1A1CYP1A2L3MBTL1

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-2238133-A2 FUNGICIDAL AMIDES E. I. du Pont de Nemours and Company (US) 2010-10-13 EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed