SCHEMBL30870677

SCHEMBL30870677

O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2c1CSCC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 0.75
TNKS O95271 9/20 0.75
PARP1 P09874 8/20 0.75
WNT3A P56704 5/20 0.75
PARP2 Q9UGN5 4/20 0.75
PARP3 Q9Y6F1 2/20 0.75
PARP14 Q460N5 1/20 0.75
PARP4 Q9UKK3 1/20 0.75
AXIN2 Q9Y2T1 1/20 0.75
PIN1 Q13526 1/20 0.46
PARP15 Q460N3 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7783488 0.86 TNKS2 (1.00) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7783581 0.81 TNKS2 (0.70) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7784477 0.79 RNASEL (0.55) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7783311 0.77 TNKS2 (0.71) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27438591 0.77 TNKS2 (0.64) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7783531 0.76 TNKS (0.60) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7776852 0.75 TNKS2 (0.73) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL30870719 0.74 TNKS2 (0.78) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27438107 0.74 TNKS2 (0.82) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7782072 0.74 TNKS2 (0.71) 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 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 claimed
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