SCHEMBL27558405

SCHEMBL27558405

Nc1sc2c(c1C(=O)O)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 9/20 0.43
KDM4E B2RXH2 8/20 0.43
ADORA1 P30542 3/20 0.43
RAD52 P43351 1/20 0.43
HPGD P15428 7/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
HSD17B10 Q99714 4/20 0.35
RECQL P46063 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 3/20 0.34
MAPK1 P28482 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7540382 0.77 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EADORA1HPGD
SCHEMBL15199371 0.75 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL8189546 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL3500340 0.72 PTPRC (0.58) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL7540375 0.72 PTPN1 (0.62) KMT2APTPRCPTPN2PTPN1PTPRB
SCHEMBL15200410 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7482154 0.67 ADORA1 (0.37) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL644159 0.67 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL11479163 0.67 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EADORA1RAD52
SCHEMBL7562771 0.67 PTPN1 (0.35) KMT2APTPRCPTPN2PTPN1PTPRB

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
CN-1300279-A Modulators of protein tyrosine phosphatases NOVO NORDISK AS (DK) 2001-06-20 CN disclosed