SCHEMBL9055411

SCHEMBL9055411

CC(C)(C)OC(=O)NCc1ccc(-n2cc(OC(=O)O)c(=O)c3cc(F)c(Cl)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK8 P45983 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BRD4 O60885 2/20 0.35
NAMPT P43490 2/20 0.35
P2RX3 P56373 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4A O75164 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
GNRHR P30968 1/20 0.34

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
SCHEMBL9055563 0.85 MAPK8 (0.37) GAAGRM2MAPK8L3MBTL1HDAC1
SCHEMBL9057039 0.85 MAPK8 (0.41) GRM2MAPK8L3MBTL1HDAC1HDAC10
SCHEMBL9056322 0.82 CSF1R (0.38)
SCHEMBL6211209 0.81 LMNA (0.37) MAPK8MEN1KMT2A
SCHEMBL8126948 0.81 PDE4A (0.37) MAPK8KMT2A
SCHEMBL9058127 0.77 HDAC1 (0.37) HDAC1HDAC6
SCHEMBL9056459 0.76 MAPK8 (0.42) GAAGRM2MAPK8MEN1KMT2A
SCHEMBL8195587 0.72 EPHA2 (0.48) L3MBTL1MEN1KMT2A
SCHEMBL9057768 0.72 CSF1R (0.36) KMT2A
SCHEMBL9056315 0.71 CSF1R (0.42) MEN1KMT2A

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