SCHEMBL27439337

SCHEMBL27439337

O=c1[nH]c(-c2ccc(-c3ccc(Br)cn3)cc2)nc2c1CSCC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 16/20 0.60
WNT3A P56704 10/20 0.60
TNKS O95271 8/20 0.60
PARP1 P09874 5/20 0.60
PARP2 Q9UGN5 3/20 0.60
PARP3 Q9Y6F1 2/20 0.60
PARP14 Q460N5 1/20 0.60
PARP4 Q9UKK3 1/20 0.60
AXIN2 Q9Y2T1 1/20 0.60
SPR P35270 2/20 0.59
PARP15 Q460N3 1/20 0.45
BRD4 O60885 1/20 0.39

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 0.88 TNKS2 (0.71) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL30870703 0.88 TNKS2 (0.58) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27436196 0.88 TNKS2 (0.58) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27436124 0.87 TNKS2 (0.70) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27439486 0.86 TNKS2 (0.63) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27436274 0.84 TNKS2 (0.57) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27435337 0.83 TNKS2 (0.64) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL27436692 0.79 TNKS2 (0.58) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7782072 0.78 TNKS2 (0.71) TNKS2WNT3ATNKSPARP1PARP2
SCHEMBL7783581 0.78 TNKS2 (0.70) 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