SCHEMBL9320105

SCHEMBL9320105

O=c1ccn(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SCN2A Q99250 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
SIRT6 Q8N6T7 2/20 0.41
POLB P06746 2/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLEC Q15149 1/20 0.40
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9187712 0.69 GSK3A (0.56) KAT2BMAPTALDH1A1SCN2AGSK3A
SCHEMBL22567 0.68 ALDH1A1 (0.72) ALDH1A1MAPK1MEN1KMT2AACHE
SCHEMBL27909482 0.68 ALDH1A1 (0.72) ALDH1A1MAPK1MEN1KMT2AACHE
SCHEMBL85590 0.68 ALDH1A1 (0.49) KAT2BMAPTALDH1A1SCN2AHTT
SCHEMBL2240147 0.67 SCN2A (0.56) MAPTALDH1A1SCN2AHTTSIRT6
Water SCHEMBL27300423 0.66 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AACHE
SCHEMBL27830410 0.66 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AACHE
Ammonia Solution, Strong SCHEMBL27511010 0.66 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AACHE
SCHEMBL27813527 0.66 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AACHE
SCHEMBL27986433 0.66 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331319-B1 Method for the formation of images KONISHIROKU PHOTO IND (JP) 1994-01-26 EP disclosed
EP-0331319-A1 Method for the formation of images KONICA CORPORATION (JP) 1989-09-06 EP disclosed