SCHEMBL14220164

SCHEMBL14220164

Bc1cnc(Nc2c(C(=O)NOC)cc(Cl)c(F)c2F)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
PTK2 Q05397 2/20 0.33
MAP2K1 Q02750 3/20 0.32
CSF1R P07333 1/20 0.32
SMC2 O95347 1/20 0.31
EGFR P00533 1/20 0.31
CSNK2A2 P19784 1/20 0.31
MAP2K2 P36507 1/20 0.31
SMC1A Q14683 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
Q6ZSR9 Q6ZSR9 1/20 0.31
BMP2K Q9NSY1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRNA7 P36544 1/20 0.31
MAPT P10636 1/20 0.30
DHODH Q02127 2/20 0.30

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
SCHEMBL14219648 0.89 MEN1 (0.39) PTGS2MAP2K1MEN1KMT2ATDP1
SCHEMBL14219655 0.87 MAP2K1 (0.38) PTGS2PTK2MAP2K1CSF1RSMC2
SCHEMBL14219712 0.87 MAP2K1 (0.36) PTGS2MAP2K1MAP2K2MEN1KMT2A
SCHEMBL14219727 0.87 MEN1 (0.34) PTGS2MAP2K1SMC2EGFRCSNK2A2
SCHEMBL14219657 0.86 ALDH1A1 (0.36) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14222456 0.85 DHODH (0.39) MAP2K1EGFRDHODH
SCHEMBL14219718 0.85 DHODH (0.36) PTGS2PTK2MAP2K1CSF1RSMC2
SCHEMBL14219659 0.84 MAP2K1 (0.44) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14220129 0.81 MAP2K1 (0.36) PTGS2PTK2MAP2K1CSF1RSMC2
SCHEMBL14219616 0.81 DHODH (0.39) PTGS2MAP2K1CSF1RMEN1KMT2A

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