SCHEMBL19623112

SCHEMBL19623112

O=C(NCCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
TAAR1 Q96RJ0 1/20 0.64
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.53

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
SCHEMBL10636011 0.90 RAB9A (0.57) SMN1; SMN2RAB9ANPC1TAAR1MEN1
SCHEMBL10500161 0.87 DPP8 (0.58) SMN1; SMN2RAB9AMAPTLMNAHTT
SCHEMBL28347032 0.87 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1TAAR1MEN1
SCHEMBL6966891 0.86 PLAU (0.59) SMN1; SMN2RAB9ANPC1MEN1KMT2A
Benzyl Phenethylcarbamate SCHEMBL4287199 0.86 LMNA (0.73) SMN1; SMN2RAB9ANPC1TAAR1MEN1
SCHEMBL19621590 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1TAAR1MEN1
SCHEMBL10639512 0.84 HTT (0.56) SMN1; SMN2RAB9AMAPTLMNAHTT
SCHEMBL11161416 0.83 DPP8 (0.55) SMN1; SMN2RAB9AMAPTLMNAHTT
SCHEMBL6554125 0.83 LMNA (0.65) SMN1; SMN2MAPTLMNAHTTGAA
SCHEMBL15156941 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 4 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
EP-3246308-A1 METHOD FOR PRODUCING AROMATIC AMINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2017-11-22 EP disclosed