SCHEMBL14220165

SCHEMBL14220165

Bc1cc(C)cnc1Nc1c(C(=O)NOCC)cc(Br)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.41
MAP2K2 P36507 3/20 0.40
ABCB11 O95342 1/20 0.34
NQO2 P16083 1/20 0.34
SMC2 O95347 1/20 0.33
EGFR P00533 1/20 0.33
CSNK2A2 P19784 1/20 0.33
SMC1A Q14683 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
Q6ZSR9 Q6ZSR9 1/20 0.33
BMP2K Q9NSY1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDR P35968 1/20 0.33
DHODH Q02127 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
SCHEMBL14219851 0.91 MAP2K1 (0.41) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14220171 0.90 MEN1 (0.41) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14220167 0.88 MEN1 (0.47) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14220162 0.86 MAP2K1 (0.40) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14220120 0.84 MAP2K1 (0.36) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14222855 0.84 MAP2K1 (0.42) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219728 0.82 MAP2K1 (0.39) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219629 0.81 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14220172 0.81 DHODH (0.35) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219698 0.80 MAP2K1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed