SCHEMBL9834590

SCHEMBL9834590

CCC1C(=O)Nc2cc3[nH]c(O)nc3cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
NQO2 P16083 3/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADAMTS5 Q9UNA0 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
SCHEMBL9834699 0.90 ADAMTS5 (0.38) PGRKDM4EATMNQO2ADAMTS5
SCHEMBL9833658 0.84 FABP6 (0.43) PGRALDH1A1
SCHEMBL9835234 0.84 PGR (0.40) PGRUSP2ALDH1A1ADAMTS5
SCHEMBL9834375 0.82 PGR (0.36) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL9834766 0.82 KMT2A (0.48) PGRKDM4E
SCHEMBL9835004 0.82 HPGD (0.40) PGRALDH1A1
SCHEMBL9836082 0.82 KDM4E (0.43) PGRKDM4EATMALDH1A1
SCHEMBL9834606 0.81 KDM4E (0.45) PGRKDM4EALDH1A1
SCHEMBL9833008 0.80 LMNA (0.44) PGRNQO2
SCHEMBL10374413 0.80 PGR (0.47) PGRKDM4EPDE4APDE4BPDE4C

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