SCHEMBL30870671

SCHEMBL30870671

N#Cc1ccc(NC2CC(c3nc4c(c(=O)[nH]3)CSCC4)C2)c(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.37
TNKS2 Q9H2K2 5/20 0.37
PARP1 P09874 4/20 0.37
PARP3 Q9Y6F1 2/20 0.37
WNT3A P56704 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
AXIN2 Q9Y2T1 1/20 0.37
PARP15 Q460N3 1/20 0.37
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL27437373 1.00 TNKS (0.37) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL30870725 0.86 PARP1 (0.37) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27437464 0.74 TNKS (0.42) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27436072 0.74 TNKS (0.42) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27437262 0.71 PARP1 (0.55) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27436689 0.71 PARP1 (0.55) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27436612 0.70 TNKS2 (0.67) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27437229 0.69 PARP1 (0.58) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL30870708 0.66 PARP1 (0.45) TNKSTNKS2PARP1PARP3WNT3A
SCHEMBL27443951 0.66 PARP1 (0.45) TNKSTNKS2PARP1PARP3WNT3A

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