SCHEMBL7779085

SCHEMBL7779085

C=C(C)C(=O)Nc1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
GAA P10253 1/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.54
JAK3 P52333 1/20 0.53
MAPK10 P53779 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPT P10636 4/20 0.50
MTOR P42345 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GBA1 P04062 1/20 0.49

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
SCHEMBL1098272 0.87 TDP1 (0.79) TDP1RAB9AKCNH2KDM4E
SCHEMBL31598582 0.83 MEN1 (0.59) TDP1MEN1KMT2AGAARAB9A
SCHEMBL12411794 0.82 MEN1 (0.62) MEN1KMT2AGAARAB9ANPC1
SCHEMBL27927619 0.82 TDP1 (0.51) TDP1JAK3MAPTKDM4E
SCHEMBL687148 0.82 GAA (0.68) MEN1KMT2AGAARAB9ANPC1
SCHEMBL29493316 0.82 GAA (0.68) MEN1KMT2AGAARAB9ANPC1
SCHEMBL5421444 0.81 TDP1 (1.00) TDP1MEN1KMT2ARAB9ANPC1
SCHEMBL216958 0.81 TDP1 (0.70) TDP1MEN1KMT2ARAB9ANPC1
SCHEMBL8477048 0.81 TDP1 (0.70) TDP1MEN1KMT2AGAARAB9A
Hydrochloric Acid SCHEMBL29536454 0.80 GAA (0.66) MEN1KMT2AGAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104004220-B Capsaicin vacation template molecule imprinted polymer and its preparation method and application 山东省分析测试中心 2016-08-24 CN claimed
CN-104004220-A Capsaicin fake-template molecularly-imprinted polymer, preparation method and applications thereof SHANDONG ANALYSIS & TEST CT 2014-08-27 CN claimed
CN-104004220-B Capsaicin vacation template molecule imprinted polymer and its preparation method and application 山东省分析测试中心 2016-08-24 CN disclosed
CN-104004220-A Capsaicin fake-template molecularly-imprinted polymer, preparation method and applications thereof SHANDONG ANALYSIS & TEST CT 2014-08-27 CN disclosed
EP-1124795-A1 INHIBITORS OF THE EGF-RECEPTOR TYROSINE KINASE AND THEIR USE Parker Hughes Institute (US) 2001-08-22 EP disclosed
WO-2000056703-A1 INHIBITORS OF THE EGF-RECEPTOR TYROSINE KINASE AND THEIR USE PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed