SCHEMBL6552022

SCHEMBL6552022

CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CYP19A1 P11511 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPD P32754 2/20 0.45
▸ CTSV O60911 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ FOLH1 Q04609 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL27373647 0.88 SMN1; SMN2 (0.47) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL1559731 0.86 MAPT (0.66) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL7289598 0.80 MAPT (0.60) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL9364728 0.80 TDP1 (0.51) MAPTSMN1; SMN2TDP1L3MBTL1MEN1
SCHEMBL1162221 0.80 PTGER1 (0.54) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL21402679 0.78 CTSV (0.53) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL590545 0.78 MAPT (0.68) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL4870470 0.78 HPD (0.64) MAPTSMN1; SMN2CYP19A1MAOBHPD
SCHEMBL12921043 0.77 TDP1 (0.56) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1
SCHEMBL34466860 0.77 TDP1 (0.56) MAPTSMN1; SMN2CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 — — CN disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 — — EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 — — EP disclosed
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 — — CN disclosed
EP-1082293-B1 FORMOTEROL POLYMORPHS SEPRACOR INC (US) 2004-02-18 — — EP disclosed
EP-1093450-B1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC (US) 2003-04-23 — — EP disclosed
WO-2002083079-A9 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL FOR DELIVERY TO THE LUNGS VIA NEBULIZATION DEY L P (US) 2003-04-10 — — WO disclosed
EP-0938467-B1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR INC (US) 2002-06-12 — — EP disclosed
US-6268533-B1 REACTING 4-BENZYLOXY-3-FORMAMIDOSTYRENE OXIDE WITH AN OPTICALLY PURE 4-METHOXY-.ALPHA.-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE FOLLOWED BY REDUCTION TO PRODUCE FORMOTEROL SEPRACOR INC. 2001-07-31 — — US disclosed
EP-1093450-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION Sepracor Inc. (US) 2001-04-25 — — EP disclosed
EP-1082293-A2 FORMOTEROL POLYMORPHS Sepracor Inc. (US) 2001-03-14 — — EP disclosed
US-6071971-A FOR TREATING PULMONARY DISORDERS SEPRACOR INC. (US) 2000-06-06 — — US disclosed
WO-2000021487-A2 FORMOTEROL POLYMORPHS SEPRACOR INC. (US) 2000-04-20 — — WO disclosed
US-6040344-A CRYSTALLINE R,R-FORMOTEROL L-(+)-TARTRATE. SEPRACOR INC. (US) 2000-03-21 — — US disclosed
WO-1999067198-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC. (US) 1999-12-29 — — WO disclosed
US-5965622-A BRONCHODILATORS; HIGHLY SELECTIVE BETA 2-ADRENERGIC RECEPTOR AGONIST; RESPIRATORY DISORDERS, E.G. ASTHMA, BRONCHITIS; REDUCTION OF A PROTECTED NITRO DERIVATIVE; STEREOSPECIFIC SEPRACOR INC. (US) 1999-10-12 — — US disclosed
EP-0938467-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1999-09-01 — — EP disclosed
WO-1998021175-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1998-05-22 — — WO disclosed
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