SCHEMBL550153

SCHEMBL550153

FC(F)(F)CNCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.50
MAPT P10636 3/20 0.48
CHRM2 P08172 1/20 0.48
GAA P10253 1/20 0.48
SIGMAR1 Q99720 3/20 0.45
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH7 P40394 1/20 0.45
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Hydrochloric Acid SCHEMBL5385718 0.98 MEN1 (0.54) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL15114181 0.83 MEN1 (0.58) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL3376434 0.81 MEN1 (0.51) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL22039743 0.80 CYP3A4 (0.61) MEN1KMT2ACHRM2CYP3A4KDM4E
SCHEMBL23190504 0.79 MEN1 (0.48) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL15114173 0.79 MEN1 (0.49) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL17700160 0.79 MEN1 (0.48) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL21635232 0.78 MEN1 (0.64) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL549085 0.78 SIGMAR1 (0.55) MAOAMAPTGAASIGMAR1IDO1
Hydrochloric Acid SCHEMBL5378426 0.78 CYP3A4 (0.59) MEN1KMT2ACHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1263514-C Fluoro labelled anthracyclinone and anthracycline derivatives PHARMACIA & UPJOHN SPA (IT) 2006-07-12 CN claimed
CN-1223592-A 19F-labelled anthracyclinones and anthracycline derivatives PHARMACIA & UPJOHN SPA (IT) 1999-07-21 CN claimed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
WO-2020147848-A1 TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-07-23 WO disclosed
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2009029998-A1 RETROMETABOLIC COMPOUNDS CYTOPIA RESEARCH PTY LTD (AU) 2009-03-12 WO disclosed
CN-1263514-C Fluoro labelled anthracyclinone and anthracycline derivatives PHARMACIA & UPJOHN SPA (IT) 2006-07-12 CN disclosed
CN-1499972-A Imidazolyl derivatives as corticotropin releasing factor inhibitors ����˹�ж�-����˹˹������˾ 2004-05-26 CN disclosed
EP-0910415-B1 FLUORO-LABELLED ANTHRACYCLINE AND ANTHRACYCLINONE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2004-05-12 EP disclosed
US-6103700-A FOR DIAGNOSING AMYLOIDOSIS PHARMACIA & UPJOHN S.P.A. (IT) 2000-08-15 US disclosed
CN-1223592-A 19F-labelled anthracyclinones and anthracycline derivatives PHARMACIA & UPJOHN SPA (IT) 1999-07-21 CN disclosed