SCHEMBL1780888

SCHEMBL1780888

COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)(C)c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.46
NR1H4 Q96RI1 3/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
FGFR4 P22455 1/20 0.41
CDC7 O00311 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL742320 0.96 AURKA (0.44) RXFP1MAPTAURKAABL1BCR
SCHEMBL1779700 0.89 AURKA (0.50) RXFP1NR1H4PPARGPPARAMAPT
SCHEMBL1779927 0.89 RXFP1 (0.49) RXFP1NR1H4PPARGPPARAAURKA
SCHEMBL1779328 0.89 RXFP1 (0.44) RXFP1NR1H4PPARGPPARAAURKA
SCHEMBL1780795 0.88 AURKA (0.45) RXFP1NR1H4PPARGPPARAAURKA
SCHEMBL1780912 0.88 AURKA (0.49) RXFP1NR1H4PPARGPPARAAURKA
SCHEMBL1778129 0.88 AURKA (0.43) RXFP1NR1H4PPARGHSD17B10AURKA
SCHEMBL3876663 0.87 GAA (0.53) RXFP1MAPTGAATSHRMAPK1
SCHEMBL2416143 0.87 NPC1 (0.43) RXFP1MAPTGAAMEN1KMT2A
SCHEMBL1778008 0.87 AURKA (0.49) RXFP1NR1H4PPARGPPARATSHR

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
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed