SCHEMBL10373375

SCHEMBL10373375

CC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccc(O)cc1)N3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.42
IDE P14735 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PGR P06401 9/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL10374222 0.85 ATAD2 (0.42) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9835825 0.85 PDK2 (0.50) KMT2AMEN1GAAATAD2PDK2
SCHEMBL10373613 0.83 MEN1 (0.44) KMT2AMEN1GAAATAD2PDK2
SCHEMBL9832921 0.82 PDE3B (0.38) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9832061 0.82 PDE3B (0.49) ATAD2PDK2PDK4PDE3BPDE3A
Hydrochloric Acid SCHEMBL10478152 0.82 MEN1 (0.46) KMT2AMEN1GAAATAD2PDK2
SCHEMBL10374848 0.82 ALDH1A1 (0.50) KMT2AMEN1GAAATAD2PDK2
Water SCHEMBL10470996 0.81 PDE3B (0.48) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL10372930 0.80 MEN1 (0.47) KMT2AMEN1GAAATAD2PDK2
SCHEMBL10374061 0.79 PGR (0.40) KMT2AMEN1GAAARATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186010-B1 PYRROLO BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1990-01-31 EP claimed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US claimed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP claimed
EP-0186010-B1 PYRROLO BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1990-01-31 EP disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed