SCHEMBL11264405

SCHEMBL11264405

CCS(=O)(=O)c1cc2c(c(C(=O)Cl)c1)OCCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 4/20 0.33
MAPK8 P45983 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL11265601 0.94 PKM (0.35) MEN1KMT2ARAB9ASMN1; SMN2BRD4
SCHEMBL10369313 0.88 SMN1; SMN2 (0.43) MEN1KMT2ARAB9ASMN1; SMN2L3MBTL4
SCHEMBL11273494 0.83 MEN1 (0.42) MEN1KMT2ARAB9AMAPK8FFAR4
SCHEMBL11270751 0.82 ALDH1A1 (0.40) MEN1KMT2ARAB9ASMN1; SMN2HDAC3
SCHEMBL24776200 0.79 ALDH1A1 (0.34) RAB9ASMN1; SMN2BRD4NPC1HPGD
SCHEMBL10370905 0.77 ALDH1A1 (0.40) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL11264069 0.77 ALDH1A1 (0.38) MEN1KMT2ARAB9ASMN1; SMN2FFAR4
SCHEMBL11257978 0.77 RAB9A (0.40) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL10368892 0.73 SMN1; SMN2 (0.45) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL11366374 0.73 DRD2 (0.60)

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