SCHEMBL11275581

SCHEMBL11275581

CC(=O)Nc1cc([N+](=O)[O-])c(C(=O)O)c2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
SLC9A1 P19634 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL11260743 0.75 MAPT (0.41) POLBALDH1A1NPSR1GALR2MITF
SCHEMBL8378041 0.74 NPSR1 (0.45) POLBALDH1A1NPSR1GALR2MITF
SCHEMBL14141980 0.73 ALDH1A1 (0.59) POLBALDH1A1NPSR1LMNAMAPT
SCHEMBL7432485 0.71 NPSR1 (0.50) POLBALDH1A1NPSR1GALR2MITF
SCHEMBL16703652 0.70 ALDH1A1 (0.51) POLBALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL5167381 0.70 SMN1; SMN2 (0.52) POLBALDH1A1NPSR1GALR2MITF
SCHEMBL11262989 0.69 TXNRD1 (0.46) POLBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL15874898 0.69 TDP1 (0.59) POLBALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL24328813 0.69 MAPT (0.46) POLBALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL11273592 0.69 KDM4E (0.52) POLBALDH1A1NPSR1LMNAHPGD

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