SCHEMBL4429907

SCHEMBL4429907

Cc1cc[c]c(-c2cc(C(F)(F)F)ccc2Br)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
NOTUM Q6P988 1/20 0.33
GPR3 P46089 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4439151 0.84 NOTUM (0.43) KIF11NOTUMGPR3CYP1A1CYP1B1
SCHEMBL4563986 0.83 L3MBTL1 (0.36) TAS2R14MEN1MAPTKMT2A
SCHEMBL4432034 0.82 MAOB (0.36)
SCHEMBL4429675 0.82 PDE2A (0.39) KIF11
SCHEMBL4432021 0.79 CETP (0.39) KIF11MAPTRAB9ANPSR1
SCHEMBL4438050 0.79 ALDH1A1 (0.36)
SCHEMBL4438085 0.76 NOTUM (0.33) KIF11NOTUMTAS2R14
SCHEMBL10689602 0.76 KIF11 (0.39) KIF11CYP1A1CYP1B1MAPT
SCHEMBL4433660 0.73 MAOA (0.33) MEN1MAPTRAB9AKMT2A
SCHEMBL4438081 0.73 GPR3 (0.34) KIF11NOTUMGPR3TAS2R14

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-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
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed