SCHEMBL11745014

SCHEMBL11745014

CCOc1ccc2c(c1)sc1nncn12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 12/20 0.72
PARP2 Q9UGN5 11/20 0.72
PARP15 Q460N3 11/20 0.72
PARP10 Q53GL7 10/20 0.72
PARP14 Q460N5 2/20 0.61
TNKS O95271 1/20 0.57
PARP1 P09874 1/20 0.57
PARP11 Q9NR21 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
PARP3 Q9Y6F1 1/20 0.57
HSD17B10 Q99714 3/20 0.47
PDE11A Q9HCR9 1/20 0.46
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 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
SCHEMBL11750178 0.84 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324784 0.78 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324487 0.76 PARP2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11222988 0.73 HSD17B10 (0.56) HSD17B10PDE11ATP53MAPTPOLB
SCHEMBL25324223 0.72 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25326183 0.72 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11011832 0.70 MAPT (0.69) TP53MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL31338680 0.70 MAPT (0.66) TP53MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL25324791 0.70 TNKS2 (0.78) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11748893 0.69 TNKS2 (0.66) TNKS2PARP2PARP15PARP10PARP14

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
US-4064261-A TRIAZOLOBENOXAZOLE, TRIAZOLOBENZOTHIAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed