SCHEMBL30870697

SCHEMBL30870697

O=c1[nH]c(-c2ccc(B(O)O)cc2O)nc2c1CSCC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 0.50
PARP1 P09874 8/20 0.50
TNKS O95271 7/20 0.50
WNT3A P56704 5/20 0.50
PARP3 Q9Y6F1 2/20 0.50
PARP2 Q9UGN5 2/20 0.50
PARP14 Q460N5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
AXIN2 Q9Y2T1 1/20 0.50
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PARP15 Q460N3 1/20 0.46
SPR P35270 2/20 0.33
GUSB P08236 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
SCHEMBL27440652 1.00 TNKS2 (0.50) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27440264 0.91 TNKS2 (0.57) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27439712 0.91 TNKS2 (0.52) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL30870754 0.91 TNKS2 (0.57) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27442869 0.89 TNKS2 (0.48) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27442319 0.87 TNKS (0.47) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL30870686 0.87 TNKS2 (0.49) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27440773 0.87 TNKS2 (0.49) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27435351 0.83 TNKS2 (0.67) TNKS2PARP1TNKSWNT3APARP3
SCHEMBL27438217 0.82 TNKS2 (0.65) TNKS2PARP1TNKSWNT3APARP3

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