SCHEMBL9835169

SCHEMBL9835169

CCCC(=O)Nc1cc2c(cc1[N+](=O)[O-])C(C)(C(=O)OCC)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL10477979 0.84 MAPT (0.47) L3MBTL1MAPTALDH1A1NPC1PKM
SCHEMBL10567299 0.83 MAPT (0.38) RECQLL3MBTL1MAPTALDH1A1NPC1
SCHEMBL9830264 0.83 MAPT (0.41) RECQLMAPTKDM4EALDH1A1NPC1
SCHEMBL10568792 0.81 LMNA (0.37) RECQLL3MBTL1MAPTALDH1A1NPC1
SCHEMBL10567151 0.81 MAPK1 (0.39) RECQLL3MBTL1MAPTALDH1A1NPC1
SCHEMBL10565931 0.81 ALDH1A1 (0.43) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL9831103 0.81 MAPT (0.43) MAPTALDH1A1NPC1LMNANPSR1
SCHEMBL27671305 0.81 MAPT (0.38) L3MBTL1MAPTKDM4EALDH1A1NPC1
SCHEMBL10568823 0.80 MAPT (0.36) RECQLL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL9831567 0.80 MAPT (0.52) MAPTKDM4EALDH1A1NPC1TP53

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