SCHEMBL9833659

SCHEMBL9833659

CC(=O)Nc1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
GDA Q9Y2T3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9834452 0.88 AURKA (0.49) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9834666 0.86 LMNA (0.40) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9833577 0.83 PDE4A (0.39) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL9835803 0.82 HSP90AA1 (0.40) AURKAAURKBSMN1; SMN2PDE4APDE4B
SCHEMBL9833692 0.81 FABP6 (0.42) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL9833047 0.79 ALDH1A1 (0.42) AURKAAURKBSMN1; SMN2PDE4APDE4B
SCHEMBL9834744 0.79 KDM4E (0.43) LMNAAURKAAURKBPDE4APDE4B
SCHEMBL9833945 0.78 KDM4E (0.44) LMNAAURKAAURKBSMN1; SMN2PDE4A
SCHEMBL9834918 0.77 KMT2A (0.45) AURKAAURKBSMN1; SMN2PDE4APDE4B
SCHEMBL10768708 0.77 NQO2 (0.33) LMNATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed