SCHEMBL10695006

SCHEMBL10695006

CNc1cc2c(cc1[N+](=O)[O-])C(C)(C)C(=O)N2C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 6/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL2492692 0.94 MPI (0.48) MPITDP1MAPTKMT2AHCAR3
SCHEMBL2489209 0.77 TDP1 (0.72) MPITDP1MAPTKMT2AALDH1A1
SCHEMBL13341324 0.77 MPI (0.40) MPITDP1MAPTKMT2AMEN1
SCHEMBL23578343 0.76 SIRT6 (0.44) MPITDP1MAPTALDH1A1CYP2C19
SCHEMBL5563212 0.76 RECQL (0.42) MPITDP1MAPTKMT2ACYP2C19
SCHEMBL13341327 0.74 MEN1 (0.37) MPITDP1MAPTKMT2AMEN1
SCHEMBL10693972 0.72 NPC1 (0.41) MPITDP1MAPTKMT2AHCAR3
SCHEMBL2144620 0.72 CASP1 (0.49) MPITDP1MAPTKMT2AALDH1A1
SCHEMBL15543815 0.72 CASP1 (0.53) KMT2AALDH1A1MEN1POLBTP53
SCHEMBL10696897 0.71 L3MBTL1 (0.51) MAPTKMT2AALDH1A1HPGDMEN1

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
Send feedback