SCHEMBL4545351

SCHEMBL4545351

Cc1ccc([S+](C)Cc2ccccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TSHR P16473 2/20 0.33
ACHE P22303 2/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2A13 Q16696 1/20 0.33

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
SCHEMBL758837 0.85 ESR1 (0.39) KMT2AMEN1TAAR1MAOBMAPT
SCHEMBL29561503 0.85 ESR1 (0.39) KMT2AMEN1TAAR1MAOBMAPT
Hydrochloric Acid SCHEMBL9331155 0.84 ESR1 (0.38) KMT2AMEN1TAAR1MAOBMAPT
SCHEMBL30423338 0.80 ESR2 (0.36) KMT2AMEN1TAAR1ACHEMAOB
SCHEMBL759545 0.80 MAOB (0.57) KMT2AMEN1TAAR1SMN1; SMN2MAOB
SCHEMBL30217958 0.80 ESR1 (0.36) KMT2AMEN1TAAR1MAOBMAPT
SCHEMBL29843345 0.80 ESR1 (0.36) KMT2AMEN1TAAR1MAOBMAPT
SCHEMBL29819556 0.80 ESR1 (0.36) KMT2AMEN1TAAR1MAOBMAPT
SCHEMBL31008827 0.77 MAOB (0.48) KMT2AMEN1POLBSMN1; SMN2CHRM2
SCHEMBL13400453 0.76 HTT (0.42) KMT2AMEN1POLBL3MBTL1SMN1; SMN2

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
US-9796843-B2 Composition for forming thermoset film having photo alignment properties NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-10-24 US disclosed
US-9193861-B2 Composition for forming thermoset film having photo-alignment properties NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-24 US disclosed
US-9102847-B2 Composition for forming thermoset film having photo-alignment properties NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-11 US disclosed
US-20130029087-A1 COMPOSITION FOR FORMING THERMOSET FILM HAVING PHOTO-ALIGNMENT PROPERTIES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-01-31 US disclosed
US-20130021565-A1 COMPOSITION FOR FORMING THERMOSET FILM HAVING PHOTO-ALIGNMENT PROPERTIES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-01-24 US disclosed
US-20120114879-A1 COMPOSITION FOR FORMING THERMOSET FILM HAVING PHOTO ALIGNMENT PROPERTIES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-10 US disclosed