SCHEMBL27436612

SCHEMBL27436612

N#Cc1ccc(-c2nc3c(c(=O)[nH]2)CSCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 14/20 0.67
WNT3A P56704 9/20 0.67
TNKS O95271 7/20 0.67
PARP1 P09874 5/20 0.67
PARP2 Q9UGN5 3/20 0.67
PARP3 Q9Y6F1 2/20 0.67
PARP14 Q460N5 1/20 0.67
PARP4 Q9UKK3 1/20 0.67
AXIN2 Q9Y2T1 1/20 0.67
PARP15 Q460N3 1/20 0.50
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL27436932 0.83 TNKS2 (0.71) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7782072 0.83 TNKS2 (0.71) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7783581 0.83 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27445179 0.82 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27436124 0.82 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7776852 0.82 TNKS2 (0.73) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7783488 0.80 TNKS2 (1.00) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL25782527 0.80 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27435351 0.80 TNKS2 (0.67) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27436075 0.79 TNKS2 (0.65) TNKS2WNT3ATNKSPARP1PARP2

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 2 patents. 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
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