SCHEMBL9835008

SCHEMBL9835008

COC(=O)C1(C)C(=O)Nc2cc3c(cc21)NC(C)N3

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SOD1 P00441 1/20 0.30

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
SCHEMBL9834492 0.89 KDM4E (0.34) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9833652 0.85 ALDH1A1 (0.36) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9835813 0.84 ATAD2 (0.31)
SCHEMBL9832551 0.83 KDM4E (0.39) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9836473 0.82 MAPK14 (0.33)
SCHEMBL9833082 0.82 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL9832724 0.78 KDM4E (0.36) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL9832844 0.76 KDM4E (0.40) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL9834972 0.75 ATAD2 (0.50)
SCHEMBL31730669 0.74 PIM1 (0.46) KDM4EPOLBMAPTKMT2AALDH1A1

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