SCHEMBL1105096

SCHEMBL1105096

C(=C/c1cc2c(ccc3sc(-c4cccs4)cc32)s1)\c1cc2c(ccc3sc(-c4cccs4)cc32)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
RIPK2 O43353 1/20 0.38
LTA4H P09960 1/20 0.34
KDM4E B2RXH2 6/20 0.33
NPC1 O15118 4/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 3/20 0.33
POLB P06746 3/20 0.33
BLM P54132 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL16532954 0.84 RIPK2 (0.39) DPP4RIPK2LTA4HKDM4ENPC1
SCHEMBL12278867 0.84 RIPK2 (0.39) DPP4RIPK2LTA4HKDM4ENPC1
SCHEMBL12278837 0.77 RIPK2 (0.36) DPP4RIPK2LTA4HKDM4ENPC1
SCHEMBL1105090 0.76 ESR1 (0.41) KDM4ENPC1ALDH1A1MAPTKMT2A
SCHEMBL12921576 0.73 LTA4H (0.45) DPP4LTA4HKDM4ENPC1ALDH1A1
SCHEMBL23264088 0.72 LTA4H (0.46) LTA4HKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL23264090 0.71 LTA4H (0.44) LTA4HKDM4ENPC1ALDH1A1L3MBTL1
SCHEMBL20902989 0.71 KDM4E (0.33) DPP4RIPK2LTA4HKDM4ENPC1
SCHEMBL13084121 0.70 LTA4H (0.42) DPP4LTA4HKDM4ENPC1ALDH1A1
SCHEMBL1105103 0.70 APP (0.37) KDM4ENPC1ALDH1A1MAPTNPSR1

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-8154014-B2 Organic thin film transistor and organic thin film light-emitting transistor IDEMITSU KOSAN, CO., LTD. (JP) 2012-04-10 US disclosed
US-8154014-B2 Organic thin film transistor and organic thin film light-emitting transistor IDEMITSU KOSAN, CO., LTD. (JP) 2012-04-10 US disclosed
US-20100244000-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-09-30 US disclosed
US-20100244000-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-09-30 US disclosed