SCHEMBL227023

SCHEMBL227023

COc1ccc2cc(Br)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.60
CYP1A2 P05177 1/20 0.60
FLT3 P36888 1/20 0.56
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
NCEH1 Q6PIU2 1/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.48
GSTP1 P09211 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NCF1 P14598 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL29967341 1.00 CYP2A6 (0.60) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
SCHEMBL7529485 0.98 CYP2A6 (0.58) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
Ammonia Solution, Strong SCHEMBL8045635 0.98 CYP2A6 (0.58) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
Methyl Alcohol SCHEMBL29235760 0.96 FLT3 (0.57) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
SCHEMBL3138744 0.96 CYP2A6 (0.61) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
SCHEMBL9381604 0.90 CA12 (0.52) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
SCHEMBL1758778 0.85 CYP2A6 (0.48) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
SCHEMBL29447161 0.84 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL443070 0.84 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL1129092 0.83 HSD17B1 (0.66) CYP2A6CYP1A2HSD17B1HSD17B2GSTP1

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 1150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036491-A New synthesis method of 2, 6-naphthalene dicarboxylic acid 浙江工业大学 2026-05-15 CN claimed
CN-114213296-B Naphthalene series liquid crystal monomer compound containing isothiocyanato and preparation method and application thereof 中节能万润股份有限公司 2024-01-26 CN claimed
CN-116813834-B Flexible stretchable organic room-temperature phosphorescent material and preparation method thereof 南京邮电大学 2023-11-14 CN claimed
CN-114015460-B Liquid crystal monomer compound containing mononaphthalene series and preparation method and application thereof 中节能万润股份有限公司 2023-10-10 CN claimed
CN-116813834-A Flexible stretchable organic room-temperature phosphorescent material and preparation method thereof 南京邮电大学 2023-09-29 CN claimed
CN-114591128-B Direct cross-coupling method of aryl sulfide salt and aryl bromide 南京工业大学 2023-08-22 CN claimed
CN-116554009-A Electrophilic cross-coupling reaction method of aryl sulfone or heteroaryl sulfone and aryl bromide 南京工业大学 2023-08-08 CN claimed
CN-115260052-B 2-phenyl naphthalene derivative and preparation method and application thereof 山东大学 2023-07-25 CN claimed
CN-114685251-B Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-12-27 CN claimed
CN-115260052-A 2-phenylnaphthalene derivative and preparation method and application thereof 山东大学 2022-11-01 CN claimed
US-5600009-A Use of 4-substituted 2-butanones to prepare nabumetone HOECHST CELANESE CORPORATION (US) 1997-02-04 US claimed
US-5536870-A Process for preparing olefins ALBEMARLE CORPORATION (US) 1996-07-16 US claimed
US-5225603-A Preparation of 4-(6'-methoxy-2'-naphthyl)-3-buten-2-one HOECHST CELANESE CORPORATION (US) 1993-07-06 US claimed
EP-0358574-B1 PROCESS FOR THE PREPARATION OF ADAMANTANE-1 DERIVATIVES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-17 EP claimed
EP-0376516-B1 METHOD OF PREPARATION OF NABUMETONE HOECHST CELANESE CORPORATION (US) 1993-02-10 EP claimed
EP-0376516-A1 Method of preparation of nabumetone HOECHST CELANESE CORPORATION (US) 1990-07-04 EP 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-4723033-A REACTING ALPHA METAL ACID DERIVATIVE AND ARYL HALIDE WITH OPTICALLY ACTIVE CATALYST SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1988-02-02 US 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