SCHEMBL9834699

SCHEMBL9834699

CCCC1C(=O)Nc2cc3[nH]c(O)nc3cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.38
NQO2 P16083 2/20 0.34
IDO1 P14902 1/20 0.31
PGR P06401 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
ADAMTS4 O75173 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP14 P50281 1/20 0.30
ADAM17 P78536 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL9834590 0.90 PGR (0.40) ADAMTS5NQO2PGRKDM4EATM
SCHEMBL10666126 0.86 ADAMTS5 (0.41) ADAMTS5NQO2IDO1PGRTP53
SCHEMBL9834375 0.80 PGR (0.36) PGR
SCHEMBL10666088 0.78 CHRNB2 (0.39) ADAMTS5NQO2TP53MAPTLMNA
SCHEMBL9834093 0.76 MAOB (0.34) TP53MAPTLMNA
SCHEMBL9833068 0.76 TDP2 (0.44) TP53MAPTLMNAKDM4E
SCHEMBL9834772 0.75
SCHEMBL9834766 0.74 KMT2A (0.48) PGRPOLBKDM4E
SCHEMBL9835234 0.74 PGR (0.40) ADAMTS5PGR
SCHEMBL9833658 0.74 FABP6 (0.43) PGR

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