SCHEMBL12433655

SCHEMBL12433655

Cc1ccc2c(c1)N(c1ccccc1)c1cc(C)ccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GFER P55789 1/20 0.40
BCHE P06276 5/20 0.40
MAOA P21397 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL11978698 0.95 HDAC6 (0.44) NPC1RAB9AGFERBCHEMAOA
SCHEMBL16773259 0.86 HDAC6 (0.43) NPC1RAB9AGFERBCHEMAOA
SCHEMBL12433671 0.85 MEN1 (0.43) NPC1RAB9ABCHEMAOAALDH1A1
SCHEMBL13203010 0.84 KMT2A (0.45) BCHEMAOAALDH1A1KDM4EKMT2A
SCHEMBL1612154 0.80 ALDH1A1 (0.42) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL1611442 0.80 ALDH1A1 (0.42) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL11978695 0.79 ALDH1A1 (0.41) NPC1RAB9ABCHEALDH1A1KDM4E
SCHEMBL8183708 0.77 HDAC6 (0.54) BCHEMAOAALDH1A1KMT2AHDAC6
SCHEMBL29617992 0.77 HDAC6 (0.54) BCHEMAOAALDH1A1KMT2AHDAC6
SCHEMBL16945822 0.76 BCHE (0.53) BCHEMAOAHSD17B10KMT2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed