SCHEMBL29280753

SCHEMBL29280753

Cc1cc(Nc2ccc(CCNC(=O)O)cc2)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 6/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.43
JAK2 O60674 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 4/20 0.43
THRB P10828 1/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL31026401 0.92 MAPT (0.45) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL6051268 0.90 ALDH1A1 (0.43) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL6051264 0.90 ALDH1A1 (0.43) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL25003640 0.87 MAPT (0.45) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL30810306 0.87 IGF1R (0.51) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL25004233 0.87 IGF1R (0.51) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL29280741 0.86 MAPT (0.42) MAPTLMNAL3MBTL1TDP1GAA
SCHEMBL1625301 0.86 MAPT (0.46) MAPTLMNAL3MBTL1TDP1GAA
Hydrochloric Acid SCHEMBL1999863 0.85 MAPT (0.42) MAPTLMNAL3MBTL1TDP1GAA
Hydrochloric Acid SCHEMBL23089681 0.85 MAPT (0.45) MAPTLMNAL3MBTL1TDP1GAA

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-117800905-A Preparation method of 4- (2, 6-dimethyl-3-nitropyridin-4-ylamino) phenethyl carbamic acid benzyl ester 洛阳惠中兽药有限公司 2024-04-02 CN disclosed