SCHEMBL29280741

SCHEMBL29280741

Cc1cc(Nc2ccc(CCNC(=O)OCc3ccccc3)cc2)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 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
Hydrochloric Acid SCHEMBL1999863 0.99 MAPT (0.42) MAPTLMNAL3MBTL1GAATDP1
SCHEMBL29280753 0.86 MAPT (0.45) MAPTLMNAL3MBTL1GAATDP1
Hydrochloric Acid SCHEMBL1999689 0.86 L3MBTL1 (0.44) MAPTLMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL30810306 0.84 IGF1R (0.51) MAPTLMNAL3MBTL1GAATDP1
SCHEMBL25004233 0.84 IGF1R (0.51) MAPTLMNAL3MBTL1GAATDP1
SCHEMBL31026401 0.83 MAPT (0.45) MAPTLMNAL3MBTL1GAATDP1
SCHEMBL30810163 0.81 ALDH1A1 (0.46) MAPTLMNAL3MBTL1GAAKMT2A
SCHEMBL25003640 0.79 MAPT (0.45) MAPTLMNAL3MBTL1GAATDP1
SCHEMBL27579830 0.78 ALDH1A1 (0.41) MAPTLMNAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL1625301 0.78 MAPT (0.46) MAPTLMNAL3MBTL1GAATDP1

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 3 patents. 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 claimed
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
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