SCHEMBL29700616

SCHEMBL29700616

Cc1cccc(C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.42
MAPK12 P53778 7/20 0.42
MAPK11 Q15759 7/20 0.42
MAPK14 Q16539 7/20 0.42
PARP1 P09874 3/20 0.36
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
PDE7A Q13946 2/20 0.35
AURKA O14965 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
THRB P10828 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL24474404 1.00 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14PARP1
SCHEMBL24474374 0.92 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14PARP1
SCHEMBL24474400 0.90 APLNR (0.39) MAPK13MAPK12MAPK11MAPK14PARP1
SCHEMBL21542783 0.90 KRAS (0.38) MAPK13MAPK12MAPK11MAPK14TNKS
SCHEMBL29700725 0.90 KRAS (0.38) MAPK13MAPK12MAPK11MAPK14TNKS
SCHEMBL24474197 0.89 BCAT1 (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL24474245 0.88 HCAR1 (0.44) MAPK13MAPK12MAPK11MAPK14PARP1
SCHEMBL29700674 0.87 KDM4E (0.35) MAPK13MAPK12MAPK11MAPK14PARP1
SCHEMBL24474351 0.86 MAPK13 (0.34) MAPK13MAPK12MAPK11MAPK14HSP90AA1
SCHEMBL30487625 0.86 MAPK13 (0.34) MAPK13MAPK12MAPK11MAPK14HSP90AA1

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
CN-116390919-A Aromatic compound, preparation method and application thereof 杭州多域生物技术有限公司 2023-07-04 CN disclosed
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed