SCHEMBL9054491

SCHEMBL9054491

O=C1Cc2nc3ccccc3[n+]([O-])c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL51330 0.71 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL29359446 0.71 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL982586 0.67 CRHBP (0.39) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL2860978 0.66 CRHBP (0.38) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL30380175 0.62 CRHBP (0.47) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL11634032 0.60 CRHBP (0.42) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL15780725 0.60 CRHBP (0.49) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL11637974 0.59 ALDH1A1 (0.47) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL8688658 0.59 ALDH1A1 (0.44) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL8687444 0.59 ACHE (0.53) CRHBPCRHR2KEAP1NFE2L2ALDH1A1

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
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed