SCHEMBL3269142

SCHEMBL3269142

NC(=O)Oc1[nH]c2sccc2c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.33
TNKS2 Q9H2K2 5/20 0.33
PARP10 Q53GL7 4/20 0.33
PARP2 Q9UGN5 3/20 0.33
TYMS P04818 3/20 0.32
DHFR P00374 2/20 0.32
PARP14 Q460N5 1/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 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
SCHEMBL3269919 0.90 PDE4B (0.38) PARP15TNKS2TYMSDHFRTNKS
SCHEMBL3270312 0.84 TNKS2 (0.39) PARP15TNKS2PARP10PARP2TNKS
SCHEMBL3268792 0.82 CDC7 (0.36) PARP15TNKS2PARP10PARP2TYMS
SCHEMBL3175675 0.81 PTGS2 (0.36) PARP15TNKS2PARP10PARP2TNKS
SCHEMBL3268815 0.81 TNKS2 (0.38) PARP15TNKS2PARP10PARP2TYMS
SCHEMBL3269102 0.81 PDPK1 (0.36) TYMSDHFRPARP1TUBB4ATUBB
SCHEMBL3268262 0.81 ICAM1 (0.38) PARP15TNKS2PARP10PARP2PARP14
SCHEMBL3275192 0.79 EDNRA (0.46) PARP15TNKS2PARP10PARP2PARP14
SCHEMBL3268877 0.78 PARP15 (0.35) PARP15TNKS2PARP10PARP2PARP14
SCHEMBL3272415 0.74 ICAM1 (0.36) PARP15TNKS2PARP2TNKSPARP1

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
EP-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP claimed