SCHEMBL1563535

SCHEMBL1563535

O=C(Br)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
PTPN1 P18031 2/20 0.56
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LTA4H P09960 1/20 0.48
MITF O75030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL688186 0.85 TP53 (0.47) CES2CES1CA1CA2KMT2A
SCHEMBL8572071 0.77 LTA4H (0.73) CES2CES1CA1CA2PTPN1
SCHEMBL1736339 0.77 LTA4H (0.73) CES2CES1CA1CA2PTPN1
SCHEMBL238259 0.77 LTA4H (0.73) CES2CES1CA1CA2PTPN1
SCHEMBL9769554 0.77 RAB9A (0.46) PTPN1BCL2L1BADNPC1RAB9A
SCHEMBL716295 0.77 CES2 (1.00) CES2CES1CA1CA2PTPN1
SCHEMBL9173480 0.77 SRD5A2 (0.55) NPC1RAB9AMEN1KMT2A
SCHEMBL2287134 0.76 MAOA (0.68) CES2CES1PTPN1RAB9AMEN1
SCHEMBL5127523 0.76 MEN1 (0.59) CES2CES1CA1CA2PTPN1
SCHEMBL10368983 0.75 CES2 (0.65) CES2CES1CA1CA2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798229-A Preparation method of imatinib dimer 中国食品药品检定研究院 2025-04-11 CN claimed
CN-119613413-A Non-azolanet Process for the preparation of tam 上海皓元医药股份有限公司 2025-03-14 CN claimed
CN-116023242-A Preparation method of aromatic dihalogen substituted compound, aromatic dihalogen substituted compound and application 中国科学院大连化学物理研究所 2023-04-28 CN claimed
US-9974992-B2 Fire extinguishing composition comprising carboxylic acid derivative XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-05-22 US claimed
EP-3095488-A1 FIRE EXTINGUISHING COMPOSITION COMPRISING CARBOXYLIC ACID DERIVATIVE Xi'an J&R Fire Fighting Equipment Co., Ltd. (CN) 2016-11-23 EP claimed
US-20160332015-A1 Fire Extinguishing Composition Comprising Carboxylic Acid Derivative NANO FIRE, LLC 2016-11-17 US claimed
CN-119798229-A Preparation method of imatinib dimer 中国食品药品检定研究院 2025-04-11 CN disclosed
CN-119613414-A Non-azolanet Process for the preparation of tam 上海皓元医药股份有限公司 2025-03-14 CN disclosed
CN-119613413-A Non-azolanet Process for the preparation of tam 上海皓元医药股份有限公司 2025-03-14 CN disclosed
CN-118930444-A Fluorophenyl beta-hydroxyethylamine and its use in the treatment of hyperglycaemia 阿托基公司 2024-11-12 CN disclosed
CN-111148731-B Fluorophenyl beta-hydroxyethylamine and its use in the treatment of hyperglycaemia 阿托基公司 2024-07-09 CN disclosed
CN-116023242-A Preparation method of aromatic dihalogen substituted compound, aromatic dihalogen substituted compound and application 中国科学院大连化学物理研究所 2023-04-28 CN disclosed
CN-111148731-A Fluorophenyl β -hydroxyethylamine and use thereof in the treatment of hyperglycaemia 阿托基公司 2020-05-12 CN disclosed
EP-1219607-A1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed
EP-0549601-A1 METHOD OF PREPARING EXTENSIVELY FLUORINATED ALKYL BROMIDES. RIEDEL DE HAEN AG (DE) 1993-07-07 EP disclosed
US-4446075-A DIRECT BROMINATION RIEDEL-DE HAEN AG (DE) 1984-05-01 US disclosed
EP-0034741-B1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED BROMOFLUOROBENZENE AND 3-BROMO-4-FLUOROBENZONITRILE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1983-12-21 EP disclosed
EP-0034741-A2 Process for the preparation of a substituted bromofluorobenzene and 3-bromo-4-fluorobenzonitrile RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1981-09-02 EP disclosed