SCHEMBL14219611

SCHEMBL14219611

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.62
MAP2K2 P36507 4/20 0.56
PIM1 P11309 1/20 0.46
CAMK2B Q13554 1/20 0.46
CSNK2A2 P19784 2/20 0.43
SMC2 O95347 1/20 0.43
EGFR P00533 1/20 0.43
SMC1A Q14683 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
ABCB11 O95342 1/20 0.43
NQO2 P16083 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 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
SCHEMBL14220160 0.90 MAP2K1 (0.49) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL14220150 0.90 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2
SCHEMBL4596340 0.90 MAP2K1 (0.64) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2
SCHEMBL14219639 0.89 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BABCB11
SCHEMBL14220152 0.89 MAP2K1 (0.63) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2
SCHEMBL14219721 0.88 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2
SCHEMBL14220109 0.87 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2
SCHEMBL14219613 0.87 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL14222547 0.87 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL14219627 0.86 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BCSNK2A2

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