SCHEMBL7514067

SCHEMBL7514067

Cc1nc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccc(CC#N)cc3)o2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KCNH2 Q12809 1/20 0.33
AGER Q15109 4/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH3A1 P30838 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
HTR2A P28223 2/20 0.32
MCHR1 Q99705 2/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM1 P11229 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 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
SCHEMBL7516627 0.88 DRD2 (0.39) MAPTALDH1A1L3MBTL1KCNH2AGER
SCHEMBL4442467 0.87 MAPT (0.38) MAPTALDH1A1L3MBTL1KCNH2AGER
SCHEMBL7507160 0.86 TDP1 (0.44) MAPTL3MBTL1KCNH2SMN1; SMN2HTR2A
SCHEMBL7509782 0.85 TDP1 (0.41) L3MBTL1KCNH2AGERPPARGPPARA
SCHEMBL7507750 0.84 L3MBTL1 (0.35) ALDH1A1L3MBTL1KCNH2PPARGPPARA
SCHEMBL7509113 0.84 KCNH2 (0.34) MAPTL3MBTL1KCNH2AGERSMN1; SMN2
SCHEMBL7511397 0.84 PTPN1 (0.41) MAPTKCNH2SMN1; SMN2PPARGPPARA
SCHEMBL7513149 0.83 EIF4E (0.33) MAPTALDH1A1KDM4EKCNH2AGER
SCHEMBL7508005 0.81 HTR1A (0.33) MAPTL3MBTL1KCNH2SMN1; SMN2PPARG
SCHEMBL7508031 0.81 HSD17B10 (0.39) MAPTHSD17B10L3MBTL1KCNH2PPARG

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