SCHEMBL27438554

SCHEMBL27438554

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2(O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 13/20 0.61
▸ TNKS O95271 11/20 0.61
▸ PARP1 P09874 7/20 0.61
▸ WNT3A P56704 7/20 0.61
▸ PARP2 Q9UGN5 6/20 0.61
▸ PARP14 Q460N5 1/20 0.61
▸ PARP4 Q9UKK3 1/20 0.61
▸ AXIN2 Q9Y2T1 1/20 0.61
▸ PARP3 Q9Y6F1 1/20 0.61
▸ BRD4 O60885 1/20 0.47
▸ COMT P21964 1/20 0.45
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL27438538 0.88 TNKS2 (0.58) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7783488 0.76 TNKS2 (1.00) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL30870719 0.74 TNKS2 (0.78) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL15565864 0.68 TNKS2 (0.67) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27438107 0.64 TNKS2 (0.82) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27438444 0.64 TNKS2 (0.80) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL11284110 0.64 TNKS (1.00) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL30870677 0.63 TNKS2 (0.75) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7013457 0.63 RAB9A (0.59) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL2433653 0.63 COMT (1.00) TNKS2TNKSPARP1WNT3APARP2

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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