SCHEMBL10695330

SCHEMBL10695330

C=C(C(=O)Nc1cc2c(cc1[N+](=O)[O-])N(C)C(=O)C2(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HCAR3 P49019 2/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.36
WDR5 P61964 1/20 0.36
POLB P06746 1/20 0.35
HSPA9 P38646 1/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL10696897 0.81 L3MBTL1 (0.51) NPC1MAPK1RAB9AALDH1A1MAPT
SCHEMBL2490128 0.79 MAPT (0.61) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL10698788 0.78 MAPT (0.55) TDP1NPC1MAPK1RAB9AALDH1A1
SCHEMBL5563212 0.78 RECQL (0.42) MPITDP1HTTMAPTHSPA9
SCHEMBL10693972 0.78 NPC1 (0.41) MPITDP1NPC1MAPK1RAB9A
SCHEMBL10695938 0.76 MAPT (0.52) NPC1MAPK1RAB9AALDH1A1MAPT
SCHEMBL10698508 0.76 MAPT (0.53) TDP1NPC1RAB9AALDH1A1HTT
SCHEMBL2492692 0.75 MPI (0.48) MPITDP1ALDH1A1HTTHCAR3
SCHEMBL10711637 0.75 NPC1 (0.48) NPC1MAPK1RAB9AALDH1A1GLA
SCHEMBL2486549 0.73 MAPT (0.41) NPC1MAPK1RAB9AALDH1A1GLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed