SCHEMBL11260743

SCHEMBL11260743

CC(=O)Nc1c([N+](=O)[O-])cc(C(=O)O)c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 3/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.36
CDK2 P24941 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL11268161 0.78 ALDH1A1 (0.37) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL11268155 0.78 ALDH1A1 (0.43) GAAKDM4EALDH1A1LMNANPSR1
SCHEMBL13603007 0.77 ALDH1A1 (0.42) MAPTKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL13385021 0.77 ALDH1A1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11275581 0.75 POLB (0.42) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL7047017 0.73 KDM4E (0.48) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL9064586 0.73 MAPT (0.44) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL15322464 0.73 PDGFRB (0.43) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL13603027 0.72 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL13385016 0.72 GPR35 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2ALOX15

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