SCHEMBL3019686

SCHEMBL3019686

COc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.58
CYP19A1 P11511 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
RXFP1 Q9HBX9 6/20 0.54
POLB P06746 1/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44

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
SCHEMBL28862956 0.86 RXFP1 (0.44) NCEH1CYP19A1CYP11B1CYP11B2RXFP1
SCHEMBL3829305 0.85 MAPT (0.55) NCEH1RXFP1POLBLMNASMN1; SMN2
SCHEMBL30638066 0.85 MAPT (0.55) NCEH1RXFP1POLBLMNASMN1; SMN2
SCHEMBL31553099 0.84 CYP19A1 (0.51) NCEH1CYP19A1CYP11B1CYP11B2RXFP1
SCHEMBL23640316 0.83 CYP19A1 (0.52) NCEH1CYP19A1CYP11B1CYP11B2RXFP1
SCHEMBL14279013 0.83 CYP19A1 (0.52) NCEH1CYP19A1CYP11B1CYP11B2RXFP1
SCHEMBL5752998 0.83 POLB (0.55) NCEH1CYP19A1CYP11B1CYP11B2RXFP1
SCHEMBL5749500 0.83 IDO1 (0.57) NCEH1RXFP1POLBLMNASMN1; SMN2
SCHEMBL8557380 0.81 CYP19A1 (0.51) NCEH1CYP19A1CYP11B1CYP11B2RXFP1
SCHEMBL3160115 0.81 POLB (0.50) NCEH1CYP19A1CYP11B1CYP11B2RXFP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840996-A Production of brominated methoxynaphthalene compounds ALBEMARLE CORPORATION (US) 1998-11-24 US claimed
WO-1998050334-A1 PRODUCTION OF BROMINATED METHOXYNAPHTHALENE COMPOUNDS ALBEMARLE CORPORATION (US) 1998-11-12 WO claimed
EP-0179447-B1 PROCESS FOR THE SYNTHESIS OF 2-METHOXY-6-BROMO-NAPHTHALENE Montedison S.p.A. (IT) 1989-07-19 EP claimed
US-4628123-A Process for the synthesis of 2-methoxy-6-bromo-naphthalene MONTEDISON S.P.A. (IT) 1986-12-09 US claimed
EP-0179447-A1 Process for the synthesis of 2-methoxy-6-bromo-naphthalene Montedison S.p.A. (IT) 1986-04-30 EP claimed
CN-115197042-A Deuterated dinaphthyl anthracene compound and preparation method and application thereof 上海传勤新材料有限公司 2022-10-18 CN disclosed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
EP-1765264-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
EP-1765263-B1 DENTAL COMPOSITION CONTAINING SI-H FUNCTIONAL CARBOSILANE COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 EP disclosed
CN-104418716-A Preparation method of nabumetone intermediate 2-methoxyl-6-naphthaldehyde FUJIAN LIFEIKE BIOTECHNOLOGY CO LTD 2015-03-18 CN disclosed
WO-1998050334-A1 PRODUCTION OF BROMINATED METHOXYNAPHTHALENE COMPOUNDS ALBEMARLE CORPORATION (US) 1998-11-12 WO disclosed
WO-1998050334-A1 PRODUCTION OF BROMINATED METHOXYNAPHTHALENE COMPOUNDS ALBEMARLE CORPORATION (US) 1998-11-12 WO disclosed
US-5243088-A 1-MONODEBROMINATION OF DIBROMONAPHTHALENE COMPOUNDS POTASSE ET PRODUITS CHIMIQUES (FR) 1993-09-07 US disclosed
EP-0179447-B1 PROCESS FOR THE SYNTHESIS OF 2-METHOXY-6-BROMO-NAPHTHALENE Montedison S.p.A. (IT) 1989-07-19 EP disclosed
US-4628123-A Process for the synthesis of 2-methoxy-6-bromo-naphthalene MONTEDISON S.P.A. (IT) 1986-12-09 US disclosed
US-4628123-A Process for the synthesis of 2-methoxy-6-bromo-naphthalene MONTEDISON S.P.A. (IT) 1986-12-09 US disclosed
EP-0179447-A1 Process for the synthesis of 2-methoxy-6-bromo-naphthalene Montedison S.p.A. (IT) 1986-04-30 EP disclosed
EP-0179447-A1 Process for the synthesis of 2-methoxy-6-bromo-naphthalene Montedison S.p.A. (IT) 1986-04-30 EP disclosed