SCHEMBL2154357

SCHEMBL2154357

CC(C)(C)c1cc(-c2ccc(N)c(C(C)(C)C)c2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 4/20 0.48
TSHR P16473 3/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
Formaldehyde SCHEMBL22802137 0.93 PGR (0.46) PGRALDH1A1TDP1CYP3A4TSHR
Sulfur Dioxide SCHEMBL20572991 0.91 PGR (0.45) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL279178 0.89 PGR (0.51) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL278779 0.88 PGR (0.42) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL279003 0.83 KCNH2 (0.62) PGRALDH1A1MAPTKCNH2
SCHEMBL28721884 0.82 PGR (0.39) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL9503147 0.80 TSHR (0.43) PGRALDH1A1TDP1CYP3A4TSHR
SCHEMBL22165286 0.79 PIK3CD (0.49) KCNH2
SCHEMBL278760 0.79 KCNH2 (0.66) PTGS1PTGS2KCNH2
SCHEMBL278994 0.79 HDAC1 (0.45) PGRALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114316262-A Polyimide and preparation method thereof, polyimide film and preparation method thereof 香港科技大学深圳研究院 2022-04-12 CN claimed
CN-110003724-A A kind of strong concrete interfacial agents and preparation method thereof 薛银福 2019-07-12 CN claimed
CN-114316262-A Polyimide and preparation method thereof, polyimide film and preparation method thereof 香港科技大学深圳研究院 2022-04-12 CN disclosed
CN-114316262-A Polyimide and preparation method thereof, polyimide film and preparation method thereof 香港科技大学深圳研究院 2022-04-12 CN disclosed
CN-113508494-A Polyimide coated separator for lithium battery or capacitor 赛尔格有限责任公司 2021-10-15 CN disclosed
CN-110003724-A A kind of strong concrete interfacial agents and preparation method thereof 薛银福 2019-07-12 CN disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed
CN-101531598-A Tert-butyl benzidine and preparation method thereof UNIV EAST CHINA SCIENCE & TECH 2009-09-16 CN disclosed
US-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 US disclosed