SCHEMBL5065255

SCHEMBL5065255

C[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
MPO P05164 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
KMT2A Q03164 1/20 0.65
HIF1A Q16665 1/20 0.65
TACR1 P25103 2/20 0.63
HTR2A P28223 2/20 0.59
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2C P28335 1/20 0.59
HTR1E P28566 1/20 0.59

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
SCHEMBL475351 0.93 MAPT (0.74) KDM4EMAPTMEN1LMNAMPO
SCHEMBL289044 0.93 MAPT (0.74) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4852920 0.90 KDM4E (0.62) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4335856 0.90 KDM4E (0.62) KDM4EMAPTMEN1LMNAMPO
SCHEMBL10527492 0.89 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO
SCHEMBL5481926 0.89 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO
SCHEMBL28548565 0.89 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4261073 0.88 MAPT (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL220264 0.88 MAPT (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29534005 0.88 MAPT (0.67) KDM4EMAPTMEN1LMNAMPO

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-106636044-B Nitrilase mutant and coding gene and application thereof 东莞东阳光药物研发有限公司 2019-10-18 CN disclosed
US-8809494-B2 Method and compositions for prevention and treatment of malaria infections DREXEL UNIVERSITY (US) 2014-08-19 US disclosed
US-20080274113-A1 Method and Compositions for Prevention and Treatment of Malaria Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-11-06 US disclosed
US-4568545-A ANTICOAGULANTS, EARTHWORM TISSUE EXTRACTS AMANO SEIYAKU KABUSHIKI KAISHA (JP) 1986-02-04 US disclosed