SCHEMBL4608378

SCHEMBL4608378

CCc1[c]cc(C#N)c(-c2cc([N+](=O)[O-])ccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
GAA P10253 3/20 0.41
VCAM1 P19320 2/20 0.40
ALDH1A1 P00352 7/20 0.36
RECQL P46063 1/20 0.36
PTPRC P08575 3/20 0.35
S100A4 P26447 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL3689185 0.79 AKR1C3 (0.36) LMNAALDH1A1PTPRCS100A4BCHE
SCHEMBL4608374 0.78 VCAM1 (0.37) LMNAGAAVCAM1ALDH1A1RECQL
SCHEMBL7741732 0.71 PTPRC (0.63) LMNAALDH1A1PTPRCS100A4SMN1; SMN2
SCHEMBL1293605 0.70 VCAM1 (0.64) LMNAGAAVCAM1ALDH1A1RECQL
SCHEMBL3689183 0.68 PTPRC (0.36) LMNAALDH1A1PTPRCS100A4BCHE
SCHEMBL1981640 0.68 VCAM1 (0.56) LMNAGAAVCAM1ALDH1A1RECQL
SCHEMBL31184430 0.68 VCAM1 (0.60) LMNAGAAVCAM1ALDH1A1RECQL
SCHEMBL1179904 0.68 VCAM1 (0.59) LMNAGAAVCAM1ALDH1A1RECQL
SCHEMBL15063984 0.66 MEN1 (0.34) ALDH1A1MAPTMEN1KMT2A
SCHEMBL459005 0.66 MAPT (0.43) ALDH1A1RECQLBCHEACHEMAPT

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-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