SCHEMBL9833082

SCHEMBL9833082

CC1Nc2cc3c(cc2N1)C(C)(C(=O)NN)C(=O)N3

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9836473 0.84 MAPK14 (0.33)
SCHEMBL9832631 0.83 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9835813 0.82 ATAD2 (0.31)
SCHEMBL9835008 0.82 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL10567220 0.80
SCHEMBL10373341 0.79 TNKS2 (0.42) KDM4EALDH1A1
SCHEMBL10567841 0.79
SCHEMBL10470323 0.77 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9833652 0.76 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9834972 0.74 ATAD2 (0.50)

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