SCHEMBL7578658

SCHEMBL7578658

O=C(O)c1c(NC2CCCCO2)sc2c1CCNC2C(=O)Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.36
POLB P06746 4/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
CXCR2 P25025 1/20 0.34
PTPN1 P18031 4/20 0.34
PTPN2 P17706 1/20 0.34
PTPRB P23467 1/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ESR2 Q92731 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL7540101 0.83 PTPN1 (0.31) PTPN1PTPN2
SCHEMBL7508290 0.80 PTPN1 (0.47) PTPN1PTPN2PTPRB
SCHEMBL5838584 0.80 PTPN1 (0.47) PTPN1PTPN2PTPRB
SCHEMBL7095258 0.74 POLB (0.45) HPGDPOLBPTPN1LMNASMN1; SMN2
SCHEMBL7096724 0.72 PTPN1 (0.58) HPGDRAB9ANPC1PTPN1ALDH1A1
SCHEMBL7096725 0.72 PTPN1 (0.58) HPGDRAB9ANPC1PTPN1ALDH1A1
SCHEMBL5810837 0.72 RAB9A (0.51) HPGDRAB9ANPC1PTPN1LMNA
SCHEMBL5810842 0.72 RAB9A (0.51) HPGDRAB9ANPC1PTPN1LMNA
SCHEMBL7091991 0.72 PTPN1 (0.42) HPGDRAB9ANPC1PTPN1MAPT
SCHEMBL7537220 0.70 PTPN1 (0.37) PTPN1MAPTSMN1; SMN2HTTMEN1

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 claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed