SCHEMBL30710409

SCHEMBL30710409

Cc1ccccc1C1=NCCc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.43
RAD52 P43351 1/20 0.43
MAPK10 P53779 4/20 0.41
MAPK14 Q16539 2/20 0.41
GABRA1 P14867 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
TSHR P16473 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MAOA P21397 2/20 0.36
TYMS P04818 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6207612 0.82 NOS3 (0.52) PKMRAD52MAPK10MAPK14NOS3
SCHEMBL29498353 0.82 NOS3 (0.52) PKMRAD52MAPK10MAPK14NOS3
SCHEMBL29405492 0.76 MAOA (0.50) TDP1L3MBTL1MAPK10MAPK14NOS3
SCHEMBL1009165 0.76 MAOA (0.50) TDP1L3MBTL1MAPK10MAPK14NOS3
SCHEMBL2226165 0.76 NOS3 (0.45) PKMRAD52MAPK10MAPK14GABRA1
SCHEMBL6986806 0.73 MAOA (0.40) TDP1L3MBTL1PKMRAD52MAPK10
SCHEMBL6983460 0.72 MAOA (0.39) TDP1L3MBTL1PKMRAD52MAPK10
SCHEMBL13069277 0.69 PTPRC (0.47) TDP1L3MBTL1TSHRSMN1; SMN2NPC1
SCHEMBL1973786 0.69 NOS3 (0.52) TDP1L3MBTL1PKMRAD52MAPK10
SCHEMBL5778545 0.69 PLAU (0.44) TDP1L3MBTL1MAPK10MAPK14TYMS

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-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed