SCHEMBL14220152

SCHEMBL14220152

Cc1cc(Br)cnc1Nc1c(C(=O)NOCCO)ccc(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.63
MAP2K2 P36507 3/20 0.55
ABCB11 O95342 1/20 0.48
NQO2 P16083 1/20 0.48
PIM1 P11309 1/20 0.46
CAMK2B Q13554 1/20 0.46
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
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44

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
SCHEMBL14220113 0.89 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219611 0.89 MAP2K1 (0.62) MAP2K1MAP2K2ABCB11NQO2PIM1
SCHEMBL14219639 0.88 MAP2K1 (0.56) MAP2K1MAP2K2ABCB11NQO2PIM1
SCHEMBL14219622 0.87 MAP2K1 (0.47) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219623 0.87 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL14222536 0.87 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL14219653 0.86 MAP2K1 (0.60) MAP2K1MAP2K2ABCB11NQO2PIM1
SCHEMBL14219699 0.86 MAP2K1 (0.54) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2
SCHEMBL14219660 0.85 MAP2K1 (0.50) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219679 0.81 MAP2K1 (0.46) MAP2K1MAP2K2

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