SCHEMBL28069324

SCHEMBL28069324

O=C=NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.63
NPSR1 Q6W5P4 6/20 0.63
HTR1A P08908 5/20 0.63
HTR2A P28223 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HTR2B P41595 4/20 0.63
KDM4E B2RXH2 4/20 0.63
NFKB1 P19838 3/20 0.63
LMNA P02545 3/20 0.63
TSHR P16473 3/20 0.63
BLM P54132 3/20 0.63
CYP3A4 P08684 3/20 0.63
MAPT P10636 3/20 0.63
PMP22 Q01453 2/20 0.63
HTR7 P34969 2/20 0.63
SLC6A4 P31645 2/20 0.63
KMT2A Q03164 2/20 0.63
ADORA3 P0DMS8 1/20 0.63
ALOX15 P16050 1/20 0.63
MTOR P42345 1/20 0.63

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
SCHEMBL10701707 0.85 HTR2C (0.66) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL11726522 0.85 HTR2C (0.66) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL10701712 0.85 HTR2C (0.66) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL30661929 0.83 SMN1; SMN2 (0.62) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL27367040 0.83 SMN1; SMN2 (0.62) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL3688690 0.81 HTR2C (0.62) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL3688689 0.81 HTR2C (0.62) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL21594207 0.81 HTR2C (0.62) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL10477283 0.81 HTR2C (0.62) HTR2CNPSR1HTR1AHTR2AALDH1A1
SCHEMBL10477282 0.81 HTR2C (0.62) HTR2CNPSR1HTR1AHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN claimed