SCHEMBL4439375

SCHEMBL4439375

COc1[c]cc(Br)c(-c2cc(Cl)ccc2Br)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
NPC1 O15118 2/20 0.33
AMY1A P0DUB6 2/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.33
S100A4 P26447 1/20 0.32
ERBB2 P04626 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
STAT3 P40763 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR2A P28223 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
SCHEMBL4608485 0.82 TSHR (0.38) F11KLKB1NPC1MAPTSMN1; SMN2
SCHEMBL4439373 0.75 AMY1A (0.33) F11KLKB1NPC1AMY1AMAPT
SCHEMBL3410427 0.74 ALDH1A1 (0.35) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL20598903 0.74 S100A4 (0.52) AMY1AS100A4SMN1; SMN2TSHRALDH1A1
SCHEMBL3669190 0.73 S100A4 (0.32) S100A4
SCHEMBL3670534 0.73 CYP1A2 (0.36) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4439144 0.72 PLK4 (0.31) S100A4
SCHEMBL5090699 0.71 POLB (0.39) MAPTTSHRHTR2A
SCHEMBL4429904 0.71
SCHEMBL3989267 0.70 CA2 (0.34)

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