SCHEMBL27443057

SCHEMBL27443057

Oc1nc(Cl)nc2c1CSCC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.40
▸ PARP3 Q9Y6F1 2/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PDK1 Q15118 1/20 0.33
▸ TNKS O95271 2/20 0.31
▸ TNKS2 Q9H2K2 2/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PARP4 Q9UKK3 1/20 0.31
▸ AXIN2 Q9Y2T1 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
SCHEMBL30870656 1.00 PARP1 (0.40) PARP1PARP3PARP15PDK1TNKS
SCHEMBL14843250 0.81 PARP1 (0.42) PARP1PARP3PARP15PDK1TNKS
SCHEMBL24697998 0.72 ACHE (0.40) —
SCHEMBL8574606 0.72 ACHE (0.41) —
SCHEMBL25932351 0.68 TNKS2 (0.40) PARP1PARP3PARP15PDK1TNKS
SCHEMBL15315468 0.66 TNKS2 (0.56) PARP1PARP3PDK1TNKSTNKS2
SCHEMBL29411302 0.66 TNKS2 (0.56) PARP1PARP3PDK1TNKSTNKS2
SCHEMBL24954134 0.62 PARP1 (0.50) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL13982645 0.61 — —
SCHEMBL14843025 0.61 ALDH1A1 (0.30) —

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
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