SCHEMBL8554279

SCHEMBL8554279

CN1C(=O)CCc2cc(I)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.51
CYP11B1 P15538 7/20 0.51
CYP1A2 P05177 2/20 0.51
CYP17A1 P05093 1/20 0.51
CYP19A1 P11511 1/20 0.51
CASP3 P42574 1/20 0.46
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TRIM24 O15164 3/20 0.45
SRD5A1 P18405 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
SYK P43405 1/20 0.40
TYRO3 Q06418 1/20 0.40

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
SCHEMBL8553135 0.90 BMPR1B (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL1439563 0.86 TRIM24 (0.45) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL16506973 0.84 TRIM24 (0.49) CASP3TRIM24
SCHEMBL422074 0.80 SRD5A1 (0.58) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL5543650 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL6073575 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL265640 0.79 SRD5A1 (0.59) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL3591114 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL736131 0.79 ATAD2 (0.64) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL8556144 0.79 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247371-A Preparation method of CYP11B2 inhibitor BAXDROSTAT 上海相辉医药科技有限公司 2023-12-19 CN claimed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 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
EP-0702680-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994029297-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO 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