SCHEMBL1639671

SCHEMBL1639671

Nc1cccc(C(F)(F)C(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
MAPK1 P28482 1/20 0.63
CYP3A4 P08684 2/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
PTGS1 P23219 4/20 0.37
PNMT P11086 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAOA P21397 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL22669475 0.82 TSHR (0.61) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL29408283 0.82 TSHR (0.61) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL2775197 0.80 TSHR (0.59) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL4814929 0.80 TSHR (0.59) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL29410732 0.78 TSHR (1.00) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL10714404 0.78 TSHR (0.74) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL125470 0.78 TSHR (0.74) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL39591 0.78 TSHR (1.00) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL10729513 0.78 TSHR (0.38) TSHRMAPK1ALDH1A1MAPT
SCHEMBL17868364 0.76 TSHR (0.53) TSHRMAPK1CYP3A4CASP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed