SCHEMBL2742432

SCHEMBL2742432

CCOC(=O)c1c(N)sc(/N=C/c2ccc(-c3cccs3)s2)c1CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.64
ALDH1A1 P00352 9/20 0.48
MAPT P10636 7/20 0.48
GAA P10253 4/20 0.48
KEAP1 Q14145 1/20 0.48
HPGD P15428 7/20 0.43
KDM4E B2RXH2 6/20 0.43
NPSR1 Q6W5P4 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL224026 0.91 PTPN1 (0.77) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL12204893 0.91 PTPN1 (0.77) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL2742431 0.91 PTPN1 (0.56) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL2742429 0.90 PTPN1 (0.53) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL2742430 0.89 PTPN1 (0.61) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL2742419 0.88 PTPN1 (0.82) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL222501 0.86 PTPN1 (0.64) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL222500 0.86 PTPN1 (0.64) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL12230180 0.83 PTPN1 (0.57) PTPN1ALDH1A1MAPTGAAKEAP1
SCHEMBL226601 0.83 PTPN1 (0.70) PTPN1ALDH1A1MAPTGAAKEAP1

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-20120004386-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2012-01-05 US disclosed