SCHEMBL11267151

SCHEMBL11267151

Nc1cc2c(c(C(=O)O)c1N)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
PLK1 P53350 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL24328780 0.80 MAPT (0.42) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL15569955 0.77 KDM4E (0.44) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL18308451 0.76 KDM4E (0.49) ALDH1A1KDM4EMAPTL3MBTL1TDP1
Hydrochloric Acid SCHEMBL11259230 0.76 KDM4E (0.43) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL13091644 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL9386246 0.72 SMN1; SMN2 (0.47) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL11269121 0.72 KDM4E (0.35) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL27253937 0.71 SMN1; SMN2 (0.46) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL29699971 0.71 KDM4E (0.64) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL2783283 0.71 KDM4E (0.64) ALDH1A1KDM4EMAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed