SCHEMBL7511397

SCHEMBL7511397

Cc1nc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccc(C(F)(F)F)cc3)o2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
PPARD Q03181 5/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
TLR9 Q9NR96 1/20 0.35
CETP P11597 1/20 0.35
DRD2 P14416 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7509113 0.91 KCNH2 (0.34) PTPN1PPARDKCNH2MAPTSMN1; SMN2
SCHEMBL7516627 0.90 DRD2 (0.39) PPARGPPARADRD2KCNH2MAPT
SCHEMBL4442467 0.89 MAPT (0.38) PPARDKCNH2MAPTSMN1; SMN2
SCHEMBL7507160 0.88 TDP1 (0.44) DRD2KCNH2MAPTSMN1; SMN2
SCHEMBL7509782 0.86 TDP1 (0.41) PPARGPPARADRD2KCNH2
SCHEMBL7508005 0.85 HTR1A (0.33) PPARDPPARGPPARAKCNH2MAPT
SCHEMBL7507094 0.84 CETP (0.38) PTPN1PPARDPPARGPPARACETP
SCHEMBL7514067 0.84 MAPT (0.36) PPARGPPARAATP4AATP4BKCNH2
SCHEMBL7507843 0.83 PTPN1 (0.38) PTPN1PPARDPPARGPPARAKCNH2
SCHEMBL7508031 0.83 HSD17B10 (0.39) PPARGPPARACETPKCNH2MAPT

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-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 WO disclosed