SCHEMBL7574709

SCHEMBL7574709

O=C(O)c1c(NC2CCCCO2)sc2c1C[C@@H](CNC1=NS(=O)(=O)c3ccccc31)NC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPRB P23467 1/20 0.38
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
TP53 P04637 3/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6050042 1.00 PTPN1 (0.41) PTPN1HPGDKDM4ERAB9ANPC1
SCHEMBL5837579 0.84 PTPN1 (0.53) PTPN1HPGDKDM4ERAB9ANPC1
SCHEMBL5837572 0.84 PTPN1 (0.53) PTPN1HPGDKDM4ERAB9ANPC1
SCHEMBL7701502 0.79 HPGD (0.43) HPGDKDM4ERAB9ANPC1ALDH1A1
SCHEMBL7564276 0.78 CYP1A2 (0.39) HPGDKDM4EALDH1A1LMNAHTT
SCHEMBL7582515 0.75 HPGD (0.37) HPGDKDM4ERAB9ANPC1ALDH1A1
SCHEMBL7699460 0.74 NPC1 (0.48) HPGDKDM4ERAB9ANPC1ALDH1A1
SCHEMBL7698367 0.74 KDM4E (0.50) PTPN1HPGDKDM4ERAB9ANPC1
SCHEMBL7700382 0.74 ALDH1A1 (0.37) HPGDKDM4ERAB9ANPC1ALDH1A1
SCHEMBL7699527 0.74 KDM4E (0.50) PTPN1HPGDKDM4ERAB9ANPC1

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-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed