SCHEMBL7976555

SCHEMBL7976555

COc1cc([N+](=O)[O-])c(Nc2ccccc2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.54
L3MBTL1 Q9Y468 6/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 3/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HCAR3 P49019 1/20 0.50
MAPT P10636 6/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47

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
SCHEMBL7990043 0.90 ALDH1A1 (0.57) TDP1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL7949126 0.85 L3MBTL1 (0.58) TDP1L3MBTL1LMNAHTTALDH1A1
SCHEMBL31621042 0.85 ALDH1A1 (0.51) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL9943157 0.78 L3MBTL1 (0.70) TDP1L3MBTL1LMNAHTTALDH1A1
SCHEMBL28296720 0.78 L3MBTL1 (0.60) TDP1L3MBTL1LMNAHTTALDH1A1
SCHEMBL1437881 0.77 L3MBTL1 (0.62) TDP1L3MBTL1LMNAHTTALDH1A1
SCHEMBL2212705 0.77 AKR1C3 (0.68) TDP1L3MBTL1HTTALDH1A1MAPK1
SCHEMBL6179431 0.77 AKR1C3 (0.74) TDP1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL4589360 0.77 MAPK1 (0.55) TDP1L3MBTL1LMNAHTTALDH1A1
SCHEMBL27470880 0.75 MEN1 (0.70) TDP1L3MBTL1HTTALDH1A1MAPK1

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
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed