SCHEMBL3664944

SCHEMBL3664944

Cc1[c]cc(C(F)(F)F)c(-c2cc(C)ccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
IDO1 P14902 2/20 0.33
NOTUM Q6P988 2/20 0.32
HSP90AA1 P07900 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
PTGES O14684 1/20 0.31
MCL1 Q07820 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL4439963 0.83 IDO1 (0.38) RAPGEF4TP53MAPTRAB9ASMN1; SMN2
SCHEMBL5086321 0.82 ALKBH3 (0.36) MAPTALKBH3LRRK2
SCHEMBL4609343 0.74 LMNA (0.36) ALKBH3LRRK2
SCHEMBL3664940 0.73 MCL1 (0.36) HSD11B1HSP90AA1PDK1PDK2PDK3
SCHEMBL7471001 0.71 RAPGEF4 (0.37) RAPGEF4HSD11B1IDO1NOTUM
SCHEMBL3410624 0.71 NOTUM (0.43) NOTUM
SCHEMBL3411260 0.71 PDE2A (0.36) IDO1
SCHEMBL167133 0.70 RAPGEF4 (0.54) RAPGEF4TP53MAPTRAB9ASMN1; SMN2
SCHEMBL3412996 0.68 ALKBH3 (0.36) MAPTALKBH3LRRK2
SCHEMBL5086316 0.67 ALKBH3 (0.35) MAPTALKBH3LRRK2

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