SCHEMBL6589916

SCHEMBL6589916

NC(=O)Oc1cccc2[nH]c(-c3ccn(S(=O)(=O)c4ccccc4)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
PARP1 P09874 8/20 0.43
DHODH Q02127 6/20 0.42
CHEK2 O96017 1/20 0.41
MDM4 O15151 2/20 0.39
MDM2 Q00987 2/20 0.39

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
SCHEMBL7480916 0.92 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6804460 0.85 PARP1 (0.63) PARP1DHODHCHEK2PARP2
SCHEMBL6588713 0.77 HPSE (0.43) PARP1DHODHCHEK2HPSEPARP2
SCHEMBL6587399 0.76 HPSE (0.42) PARP1TP53HPSE
SCHEMBL6587289 0.75 PARP1 (0.49) PARP1DHODHCHEK2HPSE
SCHEMBL6591184 0.75 AURKB (0.44) PARP1DHODHCHEK2HPSEPARP2
SCHEMBL6585150 0.74 PARP1 (0.46) PARP1DHODHCHEK2HPSE
SCHEMBL6590709 0.73 PKN1 (0.66) PARP1DHODHCHEK2HPSEPARP2
SCHEMBL6586096 0.73 PARP1 (0.53) PARP1DHODHCHEK2HPSEPARP2
SCHEMBL7476476 0.73 PARP1 (0.43) PARP1DHODHCHEK2HPSE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed