SCHEMBL29489772

SCHEMBL29489772

c1csc(-c2ccc3c(c2)[nH]c2cc(-c4cccs4)ccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.53
KCNH2 Q12809 1/20 0.52
PTGES O14684 1/20 0.47
HTR1D P28221 3/20 0.47
HTR1B P28222 3/20 0.47
SLC6A11 P48066 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
LTA4H P09960 1/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44

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
SCHEMBL2239471 1.00 GPR17 (0.53) GPR17KCNH2PTGESHTR1DHTR1B
SCHEMBL29009541 0.85 GABRA1 (0.55) GPR17KCNH2HTR1DHTR1BSLC6A11
SCHEMBL30382728 0.85 GABRA1 (0.55) GPR17KCNH2HTR1DHTR1BSLC6A11
SCHEMBL607342 0.82 MMP2 (0.51) KCNH2HTR1DHTR1BGABRA1GABRG2
SCHEMBL20402154 0.80 GPR17 (0.42) GPR17KCNH2PTGESHTR1DHTR1B
SCHEMBL12402896 0.78 KCNH2 (0.57) KCNH2HTR1DHTR1BSLC6A11CDK2
SCHEMBL3360027 0.76 PDPK1 (0.60) KCNH2CDK2GSK3AGSK3BCHEK1
SCHEMBL13615853 0.76 KCNH2 (0.55) KCNH2HTR1DHTR1BSLC6A11CDK2
SCHEMBL12405261 0.74 KCNH2 (0.53) KCNH2HTR1DHTR1BSLC6A11CDK2
SCHEMBL12277536 0.74 PGR (0.54) KCNH2HTR1DHTR1BSLC6A11CDK2

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
EP-3987589-A1 FORMULATION COMPRISING A P-TYPE ORGANIC SEMICONDUCTOR MATERIAL AND AN N-TYPE SEMICONDUCTOR MATERIAL ISORG (FR) 2022-04-27 EP disclosed
EP-3987586-A1 FORMULATION COMPRISING A P-TYPE ORGANIC SEMICONDUCTOR MATERIAL AND AN N-TYPE SEMICONDUCTOR MATERIAL ISORG (FR) 2022-04-27 EP disclosed
EP-3987587-A1 FORMULATION COMPRISING A P-TYPE ORGANIC SEMICONDUCTOR MATERIAL AND AN N-TYPE SEMICONDUCTOR MATERIAL ISORG (FR) 2022-04-27 EP disclosed
EP-3987588-A1 FORMULATION COMPRISING A P-TYPE ORGANIC SEMICONDUCTOR MATERIAL AND AN N-TYPE SEMICONDUCTOR MATERIAL ISORG (FR) 2022-04-27 EP disclosed