SCHEMBL9834779

SCHEMBL9834779

CCCC1Nc2cc3c(cc2N1)C(CC)C(=O)N3

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
TP53 P04637 6/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.37
NQO2 P16083 3/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL9835252 0.84 PGR (0.40) PGRTP53MAPTLMNANQO2
SCHEMBL9833666 0.81 PGR (0.46) PGRTP53MAPTLMNANQO2
SCHEMBL9834604 0.81 PGR (0.46) PGRTP53MAPTLMNANQO2
SCHEMBL9835247 0.81 PGR (0.46) PGRTP53MAPTLMNANQO2
SCHEMBL9833705 0.81 PGR (0.41) PGRTP53MAPTLMNANQO2
SCHEMBL9836085 0.78 PGR (0.44) PGRTP53MAPTLMNANQO2
SCHEMBL9835010 0.78 PGR (0.44) PGRTP53MAPTLMNANQO2
SCHEMBL9834705 0.78 NQO2 (0.39) PGRTP53MAPTLMNANQO2
SCHEMBL9834612 0.77 PGR (0.43) PGRTP53MAPTLMNANQO2
SCHEMBL9834376 0.75 PGR (0.47) PGRTP53MAPTLMNAPOLB

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