SCHEMBL10857094

SCHEMBL10857094

COC(=O)c1sc(OCCOC(C)(C)C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 2/20 0.37
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
RAF1 P04049 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A2 P19784 1/20 0.34
KDR P35968 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL10861492 0.85 CCNE2 (0.34) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL10861251 0.82 KMT2A (0.44) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL5124845 0.82 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL10860870 0.81 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL10857100 0.78 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL11101301 0.78 CCNE2 (0.36) CCNE2CCNE1CDK2
SCHEMBL10860127 0.77 HPGD (0.38) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL20925876 0.75 HPGD (0.49) MAPTNPC1RAB9ASMN1; SMN2CCNE2
SCHEMBL20912900 0.70 PTPN2 (0.38) MAPTNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL10857097 0.70 KMT2A (0.51) SMN1; SMN2HTTKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590203-A Derivatives of thiophene-2-carboxylic acid and their pharmaceutically acceptable acid or base addition salts and use in treatment of conditions caused by thromboxane A2 LAEVOSAN-GESELLSCHAFT M.B.H. & CO. KG (AT) 1986-05-20 US disclosed