SCHEMBL28232014

SCHEMBL28232014

O=C(CBr)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.73
MAOA P21397 1/20 0.73
CYP19A1 P11511 1/20 0.64
CYP11B1 P15538 1/20 0.64
CYP11B2 P19099 1/20 0.64
MAPT P10636 3/20 0.62
ALDH1A1 P00352 2/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
GSK3B P49841 1/20 0.55
FFAR1 O14842 1/20 0.54
SLC2A1 P11166 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ADAMTS4 O75173 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL8991408 0.86 MAOB (0.79) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL28317001 0.84 MAOB (0.79) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL17554366 0.83 MAOB (0.73) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL4456929 0.81 GSK3B (0.59) MAOBMAOAALDH1A1MEN1LMNA
SCHEMBL17560021 0.80 MAOB (0.70) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL6599866 0.80 MAOB (0.68) MAOBMAOAMAPTALDH1A1RAB9A
SCHEMBL3499926 0.80 MAOB (0.69) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL28979209 0.79 PARP10 (0.56) MAOBMAOAALDH1A1RAB9ASMN1; SMN2
SCHEMBL12010999 0.79 MAOB (0.67) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL27863133 0.79 MAOB (0.67) MAOBMAOACYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN claimed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN claimed
CN-112279776-B Method for synthesizing arformoterol free alkali 扬州中宝药业股份有限公司 2022-09-02 CN claimed
CN-108358791-A A kind of preparation method of 3- nitros -4- benzyloxy -2- bromoacetophenones 南京法恩化学有限公司 2018-08-03 CN claimed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN disclosed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN disclosed
CN-112279776-B Method for synthesizing arformoterol free alkali 扬州中宝药业股份有限公司 2022-09-02 CN disclosed
CN-111944855-B Method for synthesizing (R) -1- (4- (benzyloxy) -3-nitrophenyl) -2-bromoethanol 扬州中宝药业股份有限公司 2022-08-30 CN disclosed
CN-112279776-A Method for synthesizing arformoterol free alkali 扬州中宝药业股份有限公司 2021-01-29 CN disclosed
CN-108358791-A A kind of preparation method of 3- nitros -4- benzyloxy -2- bromoacetophenones 南京法恩化学有限公司 2018-08-03 CN disclosed
CN-108358791-A A kind of preparation method of 3- nitros -4- benzyloxy -2- bromoacetophenones 南京法恩化学有限公司 2018-08-03 CN disclosed