SCHEMBL14220113

SCHEMBL14220113

Cc1cc(Br)cnc1Nc1c(C(=O)NOCCO)cc(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.49
MAP2K2 P36507 3/20 0.49
ABCB11 O95342 1/20 0.49
NQO2 P16083 1/20 0.49
SMC2 O95347 1/20 0.45
EGFR P00533 1/20 0.45
CSNK2A2 P19784 1/20 0.45
SMC1A Q14683 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14219622 0.92 MAP2K1 (0.47) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219660 0.90 MAP2K1 (0.50) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14223051 0.90 MAP2K1 (0.44) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14220152 0.89 MAP2K1 (0.63) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219711 0.88 MEN1 (0.42) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14220160 0.88 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219652 0.88 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219644 0.87 MEN1 (0.42) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219647 0.87 MAP2K1 (0.51) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14223057 0.86 MAP2K1 (0.41) MAP2K1MAP2K2ABCB11NQO2SMC2

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
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed