SCHEMBL4006444

SCHEMBL4006444

Cc1cc(N(C)C)c(-c2ccc(OC(F)(F)F)cc2)cc1NC(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.40
ACP1 P24666 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
EPHX2 P34913 1/20 0.37
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
PTPN1 P18031 1/20 0.37
SCN5A Q14524 1/20 0.37
IGF2BP2 Q9Y6M1 1/20 0.36

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
SCHEMBL1240022 0.90 ABL1 (0.40) ABL1ACP1MEN1LMNAMAPK1
SCHEMBL4006770 0.82 EPHX2 (0.45) ABL1ACP1MEN1LMNAMAPK1
SCHEMBL1242471 0.74 ACP1 (0.44) ABL1ACP1MAPK1SCN10ASCN5A
SCHEMBL4008586 0.73 TRPV1 (0.47) DHODHEPHX2AURKATPX2PTPN1
SCHEMBL4007585 0.73 GPR35 (0.48) EPHX2AURKATPX2PTPN1IGF2BP2
SCHEMBL1241815 0.72 ACP1 (0.40) ACP1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL1241703 0.72 L3MBTL1 (0.44) ABL1MEN1LMNAMAPK1KMT2A
SCHEMBL4006520 0.71 CHRM3 (0.40) DHODHERCC5FEN1ADORA3EPHX2
SCHEMBL1241743 0.70 SERPINE1 (0.49) MEN1KMT2AEPHX2
SCHEMBL12952940 0.69 SERPINE1 (0.41) ABL1ACP1EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed