SCHEMBL27445845

SCHEMBL27445845

O=[N+]([O-])c1cccnc1Oc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
ATM Q13315 1/20 0.54
MAPT P10636 4/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LTA4H P09960 1/20 0.49
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.42
PDE10A Q9Y233 1/20 0.41
PIN1 Q13526 1/20 0.40
PPARG P37231 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL242653 0.82 KMT2A (0.74) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10522426 0.80 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL7368692 0.78 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL8300956 0.78 HSPB1 (0.43) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL27439479 0.77 L3MBTL1 (0.51) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5256557 0.76 KMT2A (0.39) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL8099661 0.76 MEN1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
Acetic Acid SCHEMBL4766215 0.76 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ARAB9ANPC1
Acetic Acid SCHEMBL4766209 0.76 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL25309429 0.75 KMT2A (0.65) ALDH1A1MEN1KMT2ARAB9ANPC1

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
CN-1122800-A Pyrimidinyl acrylic acid derivatives SANDOZ LTD (CH) 1996-05-22 CN disclosed