SCHEMBL30870720

SCHEMBL30870720

O=c1[nH]c(-c2ccc(B(O)O)c(O)c2)nc2c1CSCC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 15/20 0.60
TNKS O95271 7/20 0.60
WNT3A P56704 10/20 0.57
PARP1 P09874 5/20 0.57
PARP3 Q9Y6F1 2/20 0.57
PARP2 Q9UGN5 2/20 0.57
PARP14 Q460N5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
AXIN2 Q9Y2T1 1/20 0.57
PARP15 Q460N3 1/20 0.48
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GUSB P08236 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL27440615 1.00 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27439947 0.96 TNKS2 (0.61) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27440638 0.87 TNKS2 (0.58) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL30870696 0.87 TNKS2 (0.58) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27436367 0.84 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27440176 0.83 TNKS2 (0.59) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27441186 0.83 TNKS2 (0.64) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27435351 0.82 TNKS2 (0.67) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL30870754 0.82 TNKS2 (0.57) TNKS2TNKSWNT3APARP1PARP3
SCHEMBL27440264 0.82 TNKS2 (0.57) TNKS2TNKSWNT3APARP1PARP3

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