SCHEMBL27445507

SCHEMBL27445507

Bc1ccc(-c2ccc(-c3nc4c(c(=O)[nH]3)CSCC4)c(O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 15/20 0.54
WNT3A P56704 10/20 0.54
TNKS O95271 7/20 0.54
PARP1 P09874 6/20 0.54
PARP3 Q9Y6F1 2/20 0.54
PARP2 Q9UGN5 2/20 0.54
PARP14 Q460N5 1/20 0.54
PARP4 Q9UKK3 1/20 0.54
AXIN2 Q9Y2T1 1/20 0.54
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP15 Q460N3 1/20 0.44
SPR P35270 1/20 0.32

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
SCHEMBL27439712 0.87 TNKS2 (0.52) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27445595 0.87 TNKS2 (0.59) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27445179 0.86 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27445508 0.86 TNKS2 (0.60) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27436367 0.83 TNKS2 (0.60) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27440652 0.80 TNKS2 (0.50) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL30870697 0.80 TNKS2 (0.50) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27439947 0.80 TNKS2 (0.61) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL27440796 0.79 TNKS2 (0.52) TNKS2WNT3ATNKSPARP1PARP3
SCHEMBL30870720 0.77 TNKS2 (0.60) TNKS2WNT3ATNKSPARP1PARP3

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