SCHEMBL11745238

SCHEMBL11745238

O=[N+]([O-])c1ccccc1CNc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.66
ALDH1A1 P00352 10/20 0.61
MAPT P10636 6/20 0.61
MAPK1 P28482 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 1/20 0.61
PTPRF P10586 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN11 Q06124 1/20 0.56
TSHR P16473 1/20 0.55
KDM1A O60341 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
CASP7 P55210 1/20 0.51
HPGD P15428 1/20 0.50
TDO2 P48775 1/20 0.50

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
SCHEMBL29546539 1.00 ALDH3A1 (0.66) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL27971590 0.87 MAPT (0.71) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL7512143 0.87 ALDH3A1 (0.63) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL19921036 0.84 ALDH3A1 (0.60) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL7095935 0.84 ALDH1A1 (0.63) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL17199298 0.83 ALDH3A1 (0.63) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL18582911 0.81 ALDH3A1 (0.50) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6378063 0.79 HCAR3 (0.57) ALDH3A1MAPTTSHR
SCHEMBL6378059 0.79 HCAR3 (0.57) ALDH3A1MAPTTSHR
SCHEMBL2060922 0.78 ALDH1A1 (0.58) ALDH3A1ALDH1A1MAPTMAPK1L3MBTL1

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-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed