SCHEMBL9053612

SCHEMBL9053612

Nc1cc2c(c(C(=O)O)c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
TDP1 Q9NUW8 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 7/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39

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
Hydrochloric Acid SCHEMBL4164962 0.98 MAPT (0.42) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6374647 0.93 SMN1; SMN2 (0.50) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL1056103 0.80 KDM4E (0.60) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL31160025 0.80 KDM4E (0.60) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6369200 0.79 PARP1 (0.44) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4640445 0.79 SMN1; SMN2 (0.49) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL3164382 0.79 AKR1C4 (0.43) KDM4ETDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13315475 0.79 KDM4E (0.43) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL13315481 0.79 PARP1 (0.46) KDM4ETDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11267777 0.79 SMN1; SMN2 (0.41) KDM4ETDP1SMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed
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