SCHEMBL8557027

SCHEMBL8557027

O=C1CCc2cc(S)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
KIF11 P52732 4/20 0.53
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
TBXAS1 P24557 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP2C9 P11712 1/20 0.49
CA9 Q16790 1/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
CRBN Q96SW2 2/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11298105 0.89 NPC1 (0.49) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13323722 0.85 CA9 (0.62) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2468488 0.82 AHR (0.61) KIF11PDE3BPDE3ACYP1A2CYP11B1
SCHEMBL1880242 0.81 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL426336 0.77 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL736368 0.77 CA9 (0.73) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1764573 0.77 AHR (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5543910 0.77 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29199433 0.77 PKM (0.58) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2233596 0.77 PKM (0.58) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019157065-A9 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2020-10-29 WO disclosed
WO-2019157065-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2019-08-15 WO disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed