SCHEMBL29067161

SCHEMBL29067161

Nc1ccc(CCNC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CDK2 P24941 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL38658431 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4ALOX15TSHRL3MBTL1
SCHEMBL8130954 0.79 MTNR1A (0.52) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL5857189 0.79 MAPT (0.46) ALDH1A1CYP3A4ALOX15L3MBTL1RECQL
SCHEMBL5857184 0.79 MAPT (0.46) ALDH1A1CYP3A4ALOX15L3MBTL1RECQL
SCHEMBL14342901 0.79 ALOX15 (0.51) ALDH1A1CYP3A4ALOX15TSHRL3MBTL1
SCHEMBL1369706 0.78 CYP1A2 (0.69) ALDH1A1CYP3A4ALOX15TSHRL3MBTL1
SCHEMBL1694357 0.78 KMT2A (0.55) ALDH1A1CYP3A4TSHRL3MBTL1NPC1
SCHEMBL8447360 0.78 ALOX15 (0.58) ALDH1A1CYP3A4ALOX15TSHRL3MBTL1
SCHEMBL1028248 0.77 MAPT (0.35) ALDH1A1CYP3A4ALOX15TSHRRECQL
SCHEMBL19212130 0.77 AKR1B1 (0.44) NPC1RAB9AMAPT

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-110400867-B Preparation method of paper-based thermoelectric film 太仓碧奇新材料研发有限公司 2022-12-06 CN claimed
CN-110400867-B Preparation method of paper-based thermoelectric film 太仓碧奇新材料研发有限公司 2022-12-06 CN disclosed
CN-110400867-B Preparation method of paper-based thermoelectric film 太仓碧奇新材料研发有限公司 2022-12-06 CN disclosed