SCHEMBL2036050

SCHEMBL2036050

COc1c(F)c(O)cc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TUBB1 Q9H4B7 3/20 0.40
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
TPMT P51580 4/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX5 P09917 2/20 0.32

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
SCHEMBL448336 0.83 ALDH1A1 (0.39) TDP1TUBB1CYP3A4MAPTKMT2A
SCHEMBL5267860 0.82 TDP1 (0.50) TDP1TUBB1CYP3A4MAPTTPMT
SCHEMBL30932192 0.82 TDP1 (0.50) TDP1TUBB1CYP3A4MAPTTPMT
SCHEMBL9655467 0.82 TDP1 (0.44) TDP1TUBB1CYP3A4MAPTTPMT
SCHEMBL24445893 0.77 TDP1 (0.39) TDP1TUBB1CYP3A4MAPTKMT2A
Methyl Alcohol SCHEMBL28274629 0.76 MEN1 (0.34) TDP1TUBB1CYP3A4MAPTKMT2A
SCHEMBL1099372 0.74 ACHE (0.36) TDP1TUBB1CYP3A4MAPTKMT2A
SCHEMBL7976367 0.74 TUBB1 (0.41) TUBB1CYP3A4MAPTALDH1A1
SCHEMBL24436831 0.74 TUBB1 (0.33) TDP1TUBB1CYP3A4MAPTALDH1A1
SCHEMBL3537612 0.74 TUBB1 (0.34) TDP1TUBB1CYP3A4MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153144-B Main chain diamine type quinoxalinyl benzoxazine and preparation method thereof 哈尔滨工程大学 2017-11-28 CN claimed
CN-107032965-A A kind of preparation method of 3 trifluoro-methoxy-phenol 金凯(辽宁)化工有限公司 2017-08-11 CN claimed
CN-105153144-A Main-chain diamine type quinoxalinyl benzoxazine and preparation method thereof UNIV HARBIN ENG 2015-12-16 CN claimed
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
CN-110049977-A As the lactams of potent and selective ROCK inhibitor, cyclic annular urea and carbamate and triazolone derivative 百时美施贵宝公司 2019-07-23 CN disclosed
CN-105153144-B Main chain diamine type quinoxalinyl benzoxazine and preparation method thereof 哈尔滨工程大学 2017-11-28 CN disclosed
CN-107032965-A A kind of preparation method of 3 trifluoro-methoxy-phenol 金凯(辽宁)化工有限公司 2017-08-11 CN disclosed
CN-104334547-B Triazoles as KV3 inhibitors 奥蒂福尼疗法有限公司 2017-06-06 CN disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
CN-106045953-A Fluorinated dibenzofuran and dibenzothiophene derivative 默克专利股份有限公司 2016-10-26 CN disclosed
CN-1852905-A N-substituted benzimidazolyl c-kit inhibitors OSI PHARM INC (US) 2006-10-25 CN disclosed
CN-1652782-A Nicotinamide derivatives useful as PDE4 inhibitors PFIZER (US) 2005-08-10 CN disclosed
CN-1478082-A Pyrimidine compound and application thereof ס�ѻ�ѧ��ҵ��ʽ���� 2004-02-25 CN disclosed
CN-1128777-C Dihalopropene compounds, insecticidal/acaricidal agents containing same, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 2003-11-26 CN disclosed
CN-1396907-A 3-phenoxy-1-phenyl acetylene derivatives and their use as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2003-02-12 CN disclosed
CN-1263882-A Method for preparing fluorine-substituted aromatic compound MITSUI CHEMICALS INC (JP) 2000-08-23 CN disclosed
CN-1039183-C 2, 6-substituted pyridine herbicides SHELL INT RESEARCH (NL) 1998-07-22 CN disclosed
CN-1137265-A Dihalopropene compounds, insecticides/acaricides containing the same and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1996-12-04 CN disclosed
CN-1079220-A 2, 6-substituted pyridine herbicides SHELL INT RESEARCH (NL) 1993-12-08 CN disclosed