SCHEMBL27437262

SCHEMBL27437262

N[C@H]1C[C@H](c2nc3c(c(=O)[nH]2)CSCC3)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.55
PARP3 Q9Y6F1 2/20 0.55
PARP15 Q460N3 1/20 0.55
TNKS O95271 7/20 0.43
TNKS2 Q9H2K2 7/20 0.43
PARP2 Q9UGN5 2/20 0.43
WNT3A P56704 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
AXIN2 Q9Y2T1 1/20 0.43
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL27436689 1.00 PARP1 (0.55) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL27437229 0.86 PARP1 (0.58) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL27443951 0.75 PARP1 (0.45) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL30870708 0.75 PARP1 (0.45) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL27437373 0.71 TNKS (0.37) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL30870671 0.71 TNKS (0.37) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL421328 0.71 PARP1 (1.00) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7782055 0.69 PARP1 (0.67) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL12634704 0.69 POLB (0.40) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL12634746 0.69 POLB (0.40) PARP1PARP3PARP15TNKSTNKS2

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