SCHEMBL20175872

SCHEMBL20175872

O=C1CC2=C(c3cccs3)NC(=O)C2=C(c2cccs2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.37
CDK5 Q00535 1/20 0.37
MST1R Q04912 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
GSK3B P49841 3/20 0.36
PRKCA P17252 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 1/20 0.35
SLC6A11 P48066 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL167973 0.82 SLC6A11 (0.44) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL19669604 0.80 LTK (0.44) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL13923459 0.79 HSD17B10 (0.40) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL2397573 0.75 GSK3B (0.47) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL14757441 0.73 SLC6A11 (0.41) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL12219225 0.71 DPP4 (0.49) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL15337183 0.71 DPP4 (0.49) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL12946409 0.71 DPP4 (0.49) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL12424781 0.71 CYP2E1 (0.41) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL16369828 0.70 GSK3B (0.56) LTKCDK5MST1RDYRK1ACLK4

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-10636975-B2 Organic semiconductor element, compound, organic semiconductor composition, and method of manufacturing organic semiconductor film FUJIFILM CORPORATION (JP) 2020-04-28 US disclosed
US-20180145259-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed