SCHEMBL8435237

SCHEMBL8435237

C=Cc1ccc(COc2ccc(CSC(=O)CC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14732592 0.87 TDP1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13242652 0.78 APP (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6388039 0.78 APP (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8435239 0.77 CYP2C19 (0.44) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL10226406 0.77 RXRA (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28707031 0.76 MAOB (0.68) SMN1; SMN2MAOBMAOAALDH1A1HTT
SCHEMBL8644807 0.76 NR1H4 (0.48) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL14732588 0.76 TAS1R3 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8643475 0.76 NR1H4 (0.59) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL8435236 0.75 CYP2C19 (0.50) MAPTPTPN2PTPN1ALDH1A1PPARA

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-5888723-A SENSITIVE HYBRIDIZATION ASSAY USING NUCLEIC ACID REAGENT COMPOSED OF OLIGONUCLEOTIDES COVALENTLY ATTACHED TO POLYMER PARTICLES WHICH ARE ADHERED TO SUPPORT USING WATER INSOLUBLE ADHESIVE; LOW BACKGROUND JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1999-03-30 US disclosed