SCHEMBL7925528

SCHEMBL7925528

Cc1ccsc1C(=COCCO)c1sccc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.38
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8732063 0.77 SLC6A1 (0.45) SMN1; SMN2ALDH1A1
SCHEMBL3276106 0.77 GSK3B (0.47) GSK3BPOLB
SCHEMBL7768683 0.69 GSK3B (0.47) GSK3BPOLB
SCHEMBL23145052 0.68 GSK3B (0.46) GSK3BPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL22754316 0.68 SMN1; SMN2 (0.49) GSK3BPOLBPKMSMN1; SMN2ALDH1A1
SCHEMBL10406650 0.67 TBXAS1 (0.52)
SCHEMBL10406649 0.67 TBXAS1 (0.52)
SCHEMBL9773473 0.66 TBXAS1 (0.40)
SCHEMBL9773468 0.66 TBXAS1 (0.40)
SCHEMBL21653995 0.66 POLB (0.43) GSK3BPOLBPKMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0374801-B1 Novel N-sustituted azaheterocyclic carboxylic acids NOVO NORDISK AS (DK) 1997-03-19 EP disclosed
US-5214057-A Used as analgesic, anxiolytic, antidepressant, hypnotic and for treating epilepsy and muscular disorder NOVO NORDISK A/S (DK) 1993-05-25 US disclosed
US-5071859-A Analgesic, antianxiolytic, antiepileptic, antidepressant; gammaa-aminobutyric acid inhibitor NOVO NORDISK A/S, A CORP. OF DENMARK (DK) 1991-12-10 US disclosed
EP-0374801-A2 Novel N-sustituted azaheterocyclic carboxylic acids NOVO NORDISK A/S (DK) 1990-06-27 EP disclosed