SCHEMBL11255201

SCHEMBL11255201

CN1C(=O)CCc2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.59
SRD5A2 P31213 1/20 0.59
IDH1 O75874 1/20 0.52
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP17A1 P05093 1/20 0.51
CYP19A1 P11511 1/20 0.51
NOTUM Q6P988 2/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B3 P37058 1/20 0.48
SCN9A Q15858 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL11263558 0.86 SRD5A1 (0.55) SRD5A1SRD5A2IDH1CYP1A2NOTUM
SCHEMBL1925311 0.84 PKM (0.59) SRD5A1SRD5A2NOTUMKMT2AOPRK1
SCHEMBL6073575 0.82 CYP11B2 (0.51) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL422074 0.80 SRD5A1 (0.58) SRD5A1CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL5543650 0.79 CYP11B2 (0.51) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL8556144 0.79 CYP11B2 (0.51) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL736131 0.79 ATAD2 (0.64) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL8554279 0.79 CYP11B2 (0.51) SRD5A1CYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL3591114 0.79 CYP11B2 (0.51) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL265640 0.79 SRD5A1 (0.59) SRD5A1CYP11B1CYP11B2CYP1A2CYP17A1

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 7 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
CN-103814021-B Dihydroquinoline 2 ketone derivatives 霍夫曼-拉罗奇有限公司 2016-12-21 CN disclosed
CN-103827101-B Dicyclo dihydroquinoline-2-ketone derivatives 霍夫曼-拉罗奇有限公司 2016-12-07 CN disclosed
EP-0003532-B1 OMEGA-(2-(N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS, THEIR USE AND PREPARATION, AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-04-28 EP disclosed
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed
EP-0003532-A1 Omega-(2-(N-lower alkyl-benzamido)-phenyl)-alkanoic acids, their use and preparation, and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-08-22 EP disclosed