SCHEMBL30870686

SCHEMBL30870686

COc1cc(B(O)O)ccc1-c1nc2c(c(=O)[nH]1)CSCC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.49
TNKS O95271 6/20 0.49
PARP1 P09874 4/20 0.47
PARP3 Q9Y6F1 2/20 0.47
PARP2 Q9UGN5 2/20 0.47
WNT3A P56704 2/20 0.47
PARP14 Q460N5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
AXIN2 Q9Y2T1 1/20 0.47
PARP15 Q460N3 1/20 0.45
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE7A Q13946 6/20 0.35
PDE7B Q9NP56 1/20 0.35
SPR P35270 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
SCHEMBL27440773 1.00 TNKS2 (0.49) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27439888 0.92 TNKS2 (0.51) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27440462 0.92 TNKS2 (0.56) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL30870717 0.92 TNKS2 (0.56) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27440652 0.87 TNKS2 (0.50) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL30870697 0.87 TNKS2 (0.50) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27442869 0.85 TNKS2 (0.48) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27440687 0.85 TNKS2 (0.53) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27440796 0.84 TNKS2 (0.52) TNKS2TNKSPARP1PARP3PARP2
SCHEMBL27442319 0.83 TNKS (0.47) TNKS2TNKSPARP1PARP3PARP2

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