SCHEMBL5742528

SCHEMBL5742528

O=C(Nc1sc2c(c1C(=O)O)CCOC2)NC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.64
PTPRC P08575 2/20 0.64
PTPN2 P17706 2/20 0.64
PTPRB P23467 2/20 0.64
PTPRE P23469 2/20 0.64
RAB7A P51149 1/20 0.52
CNR2 P34972 6/20 0.49
KMT2A Q03164 2/20 0.45
NOD1 Q9Y239 1/20 0.45
CFTR P13569 1/20 0.43
PTPN6 P29350 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
MDM2 Q00987 1/20 0.41
ANO1 Q5XXA6 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
SCHEMBL5446212 0.89 CFTR (0.55) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5458466 0.88 ALDH1A1 (0.55) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL3760411 0.83 PTPN1 (0.67) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5453432 0.81 PTPN1 (0.71) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5460559 0.80 CFTR (0.55) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4312414 0.78 PTPN1 (1.00) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5741314 0.78 PTPN1 (0.75) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL5451081 0.77 ALDH1A1 (0.54) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7854135 0.77 PTPN1 (0.58) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4090461 0.77 CNR2 (0.70) PTPN1PTPRCPTPN2PTPRBPTPRE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed