SCHEMBL30969167

SCHEMBL30969167

Nc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.74
BAZ1A Q9NRL2 1/20 0.71
MTOR P42345 1/20 0.71
DDX3X O00571 1/20 0.70
EPHX2 P34913 3/20 0.67
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
BRAF P15056 1/20 0.55
KDR P35968 1/20 0.55
MAPK14 Q16539 1/20 0.55
TNNI3K Q59H18 1/20 0.55

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
SCHEMBL17122422 0.89 MAPT (0.74) PTGS1DDX3XEPHX2MAPTMEN1
SCHEMBL28052817 0.88 DDX3X (0.70) PTGS1BAZ1AMTORDDX3XMAPT
SCHEMBL29572527 0.85 KMT2A (0.77) PTGS1BAZ1AMTORMAPTMEN1
SCHEMBL16246935 0.85 KMT2A (0.77) PTGS1BAZ1AMTORMAPTMEN1
SCHEMBL12973545 0.84 EPHX2 (0.81) PTGS1BAZ1AMTOREPHX2MAPT
SCHEMBL30314470 0.83 DDX3X (1.00) PTGS1DDX3XEPHX2MAPTMEN1
SCHEMBL1657499 0.83 DDX3X (1.00) PTGS1DDX3XEPHX2MAPTMEN1
SCHEMBL3946302 0.83 BAZ1A (1.00) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL255088 0.83 MTOR (1.00) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL4548071 0.82 EPHX2 (0.85) BAZ1AMTOREPHX2MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206490-B Indazole-3-carboxylic acid derivative with antitumor activity, preparation method and application 国王医学科技(山东)有限公司 2024-11-15 CN claimed
CN-118206490-A Indazole-3-carboxylic acid derivative with antitumor activity, preparation method and application 国王医学科技(山东)有限公司 2024-06-18 CN claimed
CN-118206490-B Indazole-3-carboxylic acid derivative with antitumor activity, preparation method and application 国王医学科技(山东)有限公司 2024-11-15 CN disclosed
CN-118206490-A Indazole-3-carboxylic acid derivative with antitumor activity, preparation method and application 国王医学科技(山东)有限公司 2024-06-18 CN disclosed