SCHEMBL6963847

SCHEMBL6963847

O=[N+]([O-])c1cnc2cc(O)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
ESR2 Q92731 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
TTR P02766 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2810966 0.87 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AALOX15TSHR
SCHEMBL7260391 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL28189359 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL22410702 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL27637998 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL3591615 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL2200894 0.79 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL2230388 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL29642602 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL2812139 0.76 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
CN-1071333-C Quinoline derivative NIPPON CHEMIPHAR CO (JP) 2001-09-19 CN disclosed
CN-1170411-A Quinoline derivative NIPPON CHEMIPHAR CO (JP) 1998-01-14 CN disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed