SCHEMBL9056322

SCHEMBL9056322

CN(C)Cc1ccc(-n2cc(OC(=O)O)c(=O)c3cc(F)c(Cl)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.38
KCNH2 Q12809 2/20 0.35
MPO P05164 1/20 0.35
TPO P07202 1/20 0.35
PDE4B Q07343 1/20 0.33
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 2/20 0.32
PARP3 Q9Y6F1 1/20 0.32
MAPK14 Q16539 1/20 0.32
PTPN1 P18031 1/20 0.32
AVPR1B P47901 1/20 0.32
MCHR1 Q99705 3/20 0.31
PIM1 P11309 1/20 0.31
TP53 P04637 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31

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
SCHEMBL9057768 0.89 CSF1R (0.36) CSF1RKCNH2MPOTPOMAPK14
SCHEMBL9056315 0.88 CSF1R (0.42) CSF1RKCNH2MPOTPOPTPN1
SCHEMBL6211209 0.86 LMNA (0.37) KCNH2PIM1
SCHEMBL8126948 0.86 PDE4A (0.37) KCNH2
SCHEMBL9056323 0.82 PIM1 (0.37) KCNH2PTPN1PIM1
SCHEMBL9055411 0.82 GAA (0.38)
SCHEMBL9055165 0.82 LMNA (0.40) KCNH2TP53
SCHEMBL9058127 0.81 HDAC1 (0.37)
SCHEMBL10587033 0.77 GABRA2 (0.41) KCNH2TP53
SCHEMBL9055819 0.77 MAPK8 (0.39) KCNH2

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
WO-1996002510-A1 NOVEL 1-[4(AMINO METHYL)PHENYL] SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed