SCHEMBL28025504

SCHEMBL28025504

Cc1cc(C)c(I)c(C)c1.FC(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.38
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL760815 0.88 RAPGEF4 (0.45) RAPGEF4ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL30511867 0.85 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1109760 0.85 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL29360453 0.85 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL9359704 0.85 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL18044240 0.83 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL28233697 0.81 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL12648816 0.76 RAPGEF4 (0.40) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL30574653 0.76 RAPGEF4 (0.40) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL3007305 0.74 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317230-A Phosphoric acid salt derivative and application thereof 朱青 2019-10-11 CN disclosed
CN-108350363-A Can photo-alignment material composition 罗利克技术有限公司 2018-07-31 CN disclosed
CN-104829493-B A kind of method of synthesizing amino formic acid aromatic ester 华南理工大学 2016-10-05 CN disclosed
CN-105949119-A Method for synthesizing polysubstituted-2(1H)-quinolinone compounds 华南理工大学 2016-09-21 CN disclosed
CN-104829493-A Synthetic method for romatic carbamic acid ester UNIV SOUTH CHINA TECH 2015-08-12 CN disclosed