SCHEMBL27516331

SCHEMBL27516331

F[B-](F)(F)F.c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP11B2 P19099 2/20 0.33
ROCK2 O75116 1/20 0.33
HTT P42858 1/20 0.32
HRH1 P35367 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL133189 0.95 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL29353025 0.95 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL1159030 0.95 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL5840557 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL1931350 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL33526641 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL29639278 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL16694717 0.93 GAA (0.39) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL19469297 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPSR1LMNA
Dimethylamine SCHEMBL645332 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320446-A The synthetic method of 2- trifluoromethyl indenyl methylene indole derivatives 温州大学 2019-02-12 CN claimed
CN-108863872-A One kind (Z) -2- is thio-beta-amino crotons nitrile compound and its electrochemical preparation method 华南理工大学 2018-11-23 CN claimed
CN-101757950-B Catalyst system and application for leading poly-fluorine phenyl in organic synthesis thereof USTC UNIV SCIENCE TECH CN 2012-10-10 CN claimed
CN-102516138-A N-aryl t-butyl sulfonamide, synthetic method and application thereof UNIV CHENGDU TECHNOLOGY 2012-06-27 CN claimed
CN-101757950-A Catalyst system and application for leading poly-fluorine phenyl in organic synthesis thereof USTC UNIV SCIENCE TECH CN 2010-06-30 CN claimed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
CN-110213965-A Phenoxyphenylamidines and their use as fungicides 拜耳作物科学股份公司 2019-09-06 CN disclosed
CN-110072843-A Benzene carbon amidine and its purposes as fungicide 拜耳作物科学股份公司 2019-07-30 CN disclosed
CN-110041316-A TAM family kinase/and CSF1R kinase inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-07-23 CN disclosed
CN-109996789-A 1, 5-substituted imidazole derivatives as fungicides for crop protection 拜耳作物科学股份公司 2019-07-09 CN disclosed
CN-109983010-A 1- [2- (1- chlorine cyclopropyl) -2- hydroxyl -3- (3- phenyl -1,2- oxazole -5- base) propyl] -1H- imidazoles -5- 6-carbonitrile derivatives and related compound as the fungicide for crop protection 拜耳作物科学股份公司 2019-07-05 CN disclosed
CN-109983000-A NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES 拜耳作物科学股份公司 2019-07-05 CN disclosed
CN-1774432-A Oxatiincarboxamidas BAYER CROPSCIENCE AG (DE) 2006-05-17 CN disclosed
CN-1726210-A Novel compounds having selective inhibiting effect at GSK3 ASTRAZENECA AB (SE) 2006-01-25 CN disclosed
CN-1234358-C Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-01-04 CN disclosed
CN-1688558-A Thiazolyl biphenyl amides BAYER CROPSCIENCE AG (DE) 2005-10-26 CN disclosed
CN-1646506-A Difluoromethyl thiazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2005-07-27 CN disclosed
CN-1646494-A Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2005-07-27 CN disclosed
CN-1551869-A Novel compound 2004-12-01 CN disclosed
CN-1437471-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed