SCHEMBL27367040

SCHEMBL27367040

O=C=NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
APAF1 O14727 1/20 0.60
RECQL P46063 1/20 0.60
LMNA P02545 1/20 0.60
MPO P05164 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
HIF1A Q16665 1/20 0.60
DNMT1 P26358 3/20 0.53
CYP2C19 P33261 1/20 0.52
DNMT3B Q9UBC3 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL30661929 1.00 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL27829210 0.88 KDM4E (0.56) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL2945686 0.85 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL2945687 0.85 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL10701837 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL2491934 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL4309022 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL4309019 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL10701840 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTKMT2AL3MBTL1
SCHEMBL28069324 0.83 HTR2C (0.63) KDM4EMAPTKMT2AMEN1RECQL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776555-A Bifunctional D-amino acid modified opioid peptide compound and synthesis method and application thereof 王锐 2020-02-11 CN disclosed
CN-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed
CN-108025574-A Thermal recording medium 三光株式会社 2018-05-11 CN disclosed
CN-106967151-A The endomorphins of many Sites Combination modifications are like thing and its synthesis and application 兰州大学 2017-07-21 CN disclosed
CN-1646910-A Method for determining leukemia, preleukemia or non-leukemia malignant blood disease and diagnostic agent UNIV TOKAI KYOWA HAKKO KOGYO K (JP) 2005-07-27 CN disclosed
CN-1473145-A Method for separating optical isomers of amino acid derivatives ��ʽ�����ɽ 2004-02-04 CN disclosed
CN-1066150-C Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 2001-05-23 CN disclosed
CN-1180358-A Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 1998-04-29 CN disclosed