SCHEMBL10567151

SCHEMBL10567151

CCOC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3ccncn3)c([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX7 Q99572 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL10568792 0.90 LMNA (0.37) MAPK1TDP1LMNAMAPTNPSR1
SCHEMBL9830264 0.89 MAPT (0.41) MAPK1TDP1LMNAMAPTNPSR1
SCHEMBL10565931 0.89 ALDH1A1 (0.43) LMNAMAPTKMT2ATP53ALDH1A1
SCHEMBL10568823 0.86 MAPT (0.36) MAPK1TDP1LMNAMAPTNPSR1
SCHEMBL9832315 0.86 MAPT (0.39) MAPK1TDP1LMNAMAPTNPSR1
SCHEMBL9831567 0.84 MAPT (0.52) LMNAMAPTNPSR1KMT2ATP53
SCHEMBL10567299 0.84 MAPT (0.38) MAPK1TDP1LMNAMAPTNPSR1
SCHEMBL10477979 0.84 MAPT (0.47) MAPK1LMNAMAPTL3MBTL1KMT2A
SCHEMBL27671305 0.84 MAPT (0.38) MAPK1TDP1LMNAMAPTNPSR1
SCHEMBL9835169 0.81 RECQL (0.43) MAPK1TDP1LMNAMAPTNPSR1

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
US-4835280-A Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed