SCHEMBL8553131

SCHEMBL8553131

CN1C(=O)CCc2c1ccc(S(=O)(=O)Cl)c2F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.40
CYP11B2 P19099 7/20 0.36
TRIM24 O15164 3/20 0.35
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
TRPV1 Q8NER1 3/20 0.31

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
SCHEMBL8554290 0.75 CYP11B1 (0.39) CYP11B1CYP11B2BRD4GABRG2GABRB3
SCHEMBL14779688 0.75 CYP11B1 (0.39) CYP11B1CYP11B2BRD4CYP17A1CYP1A2
SCHEMBL17724402 0.75 CYP11B1 (0.39) CYP11B1CYP11B2BRD4GABRG2GABRB3
SCHEMBL8553555 0.71 CYP11B1 (0.42) CYP11B1CYP11B2TRIM24BRD4CREBBP
SCHEMBL17713696 0.70 JAK2 (0.35) CYP11B1CYP11B2BRD4GABRG2GABRB3
SCHEMBL8557973 0.68 NOTUM (0.49) TRPV1
SCHEMBL28699718 0.68 BRPF1 (0.36) BRD4
SCHEMBL8600438 0.67 TRIM24 (0.53) CYP11B1CYP11B2TRIM24BRD4CREBBP
SCHEMBL16132463 0.66 BRD4 (0.44) CYP11B1CYP11B2BRD4CREBBPCYP17A1
SCHEMBL17713772 0.66 HTR2A (0.37) CYP11B1CYP11B2BRD4CYP17A1CYP1A2

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
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
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