SCHEMBL30870652

SCHEMBL30870652

COc1cc(-c2ccc(Br)cc2)ccc1-c1nc2c(c(=O)[nH]1)CSCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 0.53
TNKS O95271 7/20 0.53
WNT3A P56704 4/20 0.51
PARP1 P09874 3/20 0.51
PARP2 Q9UGN5 3/20 0.51
PARP3 Q9Y6F1 2/20 0.51
PARP14 Q460N5 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
AXIN2 Q9Y2T1 1/20 0.51
PARP15 Q460N3 1/20 0.44
PDE7A Q13946 2/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
DHODH Q02127 1/20 0.37
SPR P35270 1/20 0.37
BRD4 O60885 1/20 0.35
PDE7B Q9NP56 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL27439780 1.00 TNKS2 (0.53) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27440687 0.93 TNKS2 (0.53) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27440340 0.89 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870711 0.89 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27440061 0.88 TNKS2 (0.61) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870713 0.88 TNKS2 (0.61) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27439888 0.87 TNKS2 (0.51) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870640 0.85 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27440909 0.85 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27442202 0.84 TNKS2 (0.51) TNKS2TNKSWNT3APARP1PARP2

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-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed