SCHEMBL6316724

SCHEMBL6316724

Nc1sc2c(c1C(=O)O)CC(C(=O)N1Cc3ccccc3C1=O)OC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
RAD52 P43351 1/20 0.34
CYP11B2 P19099 1/20 0.34
RAB7A P51149 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX15 P16050 3/20 0.32
TSHR P16473 2/20 0.32
SIRT1 Q96EB6 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
XIAP P98170 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL5838372 0.87 GRM6 (0.37) ADORA1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7860317 0.83 ADORA1 (0.42) ADORA1KDM4EALDH1A1MAPTRAD52
SCHEMBL7483750 0.80 ADORA1 (0.40) ADORA1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7860310 0.80 KDM4E (0.41) ADORA1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL6322122 0.79 RAB7A (0.42) SMN1; SMN2KDM4EALDH1A1MAPTRAB7A
SCHEMBL7861195 0.77 ADORA1 (0.38) ADORA1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL6314287 0.74 CXCR2 (0.41) SMN1; SMN2KDM4EALDH1A1MAPTHTT
SCHEMBL6316711 0.73 CYP1A2 (0.44) ADORA1KDM4EALDH1A1MAPTRAB7A
SCHEMBL5838694 0.73 GRM6 (0.33) ADORA1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL5837781 0.73 GABRA1 (0.37) ADORA1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed