SCHEMBL30870640

SCHEMBL30870640

COc1cc(-c2nc3c(c(=O)[nH]2)CSCC3)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 12/20 0.60
TNKS O95271 8/20 0.60
WNT3A P56704 6/20 0.57
PARP1 P09874 4/20 0.57
PARP2 Q9UGN5 3/20 0.57
PARP3 Q9Y6F1 2/20 0.57
PARP14 Q460N5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
AXIN2 Q9Y2T1 1/20 0.57
PARP15 Q460N3 1/20 0.48
GUSB P08236 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CDKN1A P38936 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL27440909 1.00 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27440061 0.96 TNKS2 (0.61) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870713 0.96 TNKS2 (0.61) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27441093 0.88 TNKS2 (0.61) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27436368 0.87 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870711 0.86 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27440340 0.86 TNKS2 (0.60) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870652 0.85 TNKS2 (0.53) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL27439780 0.85 TNKS2 (0.53) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL30870696 0.85 TNKS2 (0.58) 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 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