SCHEMBL11270404

SCHEMBL11270404

O=C(Cl)c1cc([N+](=O)[O-])cc2c1OCCO2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 10/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.40
BAZ1A Q9NRL2 1/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL4179993 0.86 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1056621 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31159941 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6369270 0.81 SMN1; SMN2 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6369097 0.76 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6369597 0.76 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11270948 0.76 L3MBTL1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11262018 0.76 TDP1 (0.39) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL6369487 0.75 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11271060 0.75 L3MBTL1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2

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