SCHEMBL7782072

SCHEMBL7782072

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 19/20 0.71
TNKS O95271 11/20 0.71
WNT3A P56704 10/20 0.71
PARP1 P09874 6/20 0.71
PARP2 Q9UGN5 6/20 0.71
PARP3 Q9Y6F1 2/20 0.71
PARP14 Q460N5 1/20 0.71
PARP4 Q9UKK3 1/20 0.71
AXIN2 Q9Y2T1 1/20 0.71
PARP15 Q460N3 1/20 0.54
GUSB P08236 1/20 0.45

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 0.86 TNKS2 (0.71) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL7783581 0.86 TNKS2 (0.70) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27445179 0.85 TNKS2 (0.70) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27436124 0.85 TNKS2 (0.70) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL7776852 0.85 TNKS2 (0.73) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27435351 0.83 TNKS2 (0.67) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27436612 0.83 TNKS2 (0.67) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL25782527 0.83 TNKS2 (0.70) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL7783488 0.83 TNKS2 (1.00) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL1035604 0.83 TNKS2 (0.70) TNKS2TNKSWNT3APARP1PARP2

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 3 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
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed