SCHEMBL28362194

SCHEMBL28362194

O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.62
NAMPT P43490 1/20 0.60
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK1 P28482 3/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
MPI P34949 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PPIF P30405 1/20 0.48
PPIA P62937 1/20 0.48

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
SCHEMBL3048489 0.86 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL87044 0.86 POLB (0.61) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29370816 0.85 NAMPT (0.66) POLBNAMPTALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11562640 0.85 NAMPT (0.66) POLBNAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL11557510 0.85 NAMPT (0.66) POLBNAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL1665485 0.84 POLB (0.84) POLBNAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL94347 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPC1
Bromide SCHEMBL11855138 0.84 NAMPT (0.65) POLBNAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL10490780 0.83 KMT2A (0.59) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL8867503 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ANPC1

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-104603132-B Sweet taste modifier 弗门尼舍公司 2020-02-21 CN disclosed