SCHEMBL4430969

SCHEMBL4430969

Cc1[c]ccc(-c2cc(Cl)ccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.38
ABL1 P00519 1/20 0.34
AGPAT2 O15120 3/20 0.34
VEGFA P15692 1/20 0.34
FLT1 P17948 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CNR1 P21554 1/20 0.33
JAK2 O60674 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
S100A4 P26447 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TLR8 Q9NR97 1/20 0.31
NOTUM Q6P988 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
SCHEMBL4608932 0.86 HTR2B (0.36) IDO1CYP3A4
SCHEMBL4429993 0.81 S1PR4 (0.38) ABL1KDM4E
SCHEMBL27978155 0.79 MAP4K4 (0.41) MAP4K4IDO1CYP3A4ABL1AGPAT2
SCHEMBL4429899 0.79 AGPAT2 (0.33) AGPAT2S100A4
SCHEMBL512419 0.77 ALOX5 (0.42) CYP3A4JAK2
SCHEMBL4430076 0.76 ALDH1A1 (0.35) L3MBTL1KDM4E
SCHEMBL374592 0.76 MCL1 (0.45) CYP3A4
SCHEMBL16574093 0.75 MAP4K4 (0.51) MAP4K4IDO1CYP3A4ABL1AGPAT2
SCHEMBL4437593 0.75 NOTUM (0.43) ABL1NOTUM
SCHEMBL13176931 0.74 MAP4K4 (0.50) MAP4K4IDO1CYP3A4ABL1AGPAT2

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