SCHEMBL2742430

SCHEMBL2742430

CCOC(=O)c1c(/N=C/c2cccs2)sc(/N=C/c2ccc(-c3cccs3)s2)c1CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.61
MAPT P10636 8/20 0.43
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 7/20 0.43
NPSR1 Q6W5P4 6/20 0.43
GAA P10253 5/20 0.43
HPGD P15428 5/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
GLA P06280 2/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 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
SCHEMBL2742431 0.97 PTPN1 (0.56) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL226601 0.93 PTPN1 (0.70) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL226602 0.93 PTPN1 (0.70) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL2742426 0.92 PTPN1 (0.68) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL2742416 0.91 PTPN1 (0.72) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL2742429 0.90 PTPN1 (0.53) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL222501 0.90 PTPN1 (0.64) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL222500 0.90 PTPN1 (0.64) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL2742432 0.89 PTPN1 (0.64) PTPN1MAPTALDH1A1KDM4ENPSR1
SCHEMBL12204878 0.84 PTPN1 (0.79) PTPN1MAPTALDH1A1KDM4ENPSR1

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