SCHEMBL5325600

SCHEMBL5325600

Oc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 1.00
VCP P55072 8/20 1.00
AMY1A P0DUB6 5/20 0.74
MAPT P10636 5/20 0.74
ALOX15 P16050 3/20 0.74
ALDH1A1 P00352 3/20 0.74
GAA P10253 3/20 0.74
TSHR P16473 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
HPGD P15428 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
THRB P10828 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HSD17B10 Q99714 2/20 0.74
USP2 O75604 1/20 0.74
LMNA P02545 1/20 0.74
ALOX12 P18054 1/20 0.74
HTT P42858 1/20 0.74
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73

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
SCHEMBL26126062 0.92 ALOX5 (0.85) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL205976 0.89 ALOX5 (0.80) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL10246014 0.86 ALOX5 (0.76) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL14825241 0.85 MAPT (1.00) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL526321 0.85 ALOX5 (1.00) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL26125550 0.85 ALOX5 (1.00) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL12157928 0.84 ALOX5 (0.73) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL31677915 0.84 ALOX5 (0.73) ALOX5VCPAMY1AMAPTALOX15
SCHEMBL2208135 0.84 ABL1 (0.77) ALOX5VCPMAPTALDH1A1GAA
SCHEMBL208320 0.83 VCP (0.71) ALOX5VCPAMY1AMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007124171-A2 COMPOSITIONS AND METHODS FOR TREATING TRINUCLEOTIDE REPEAT DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-01 WO claimed
WO-2007124171-A2 COMPOSITIONS AND METHODS FOR TREATING TRINUCLEOTIDE REPEAT DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-01 WO disclosed
WO-2007124171-A2 COMPOSITIONS AND METHODS FOR TREATING TRINUCLEOTIDE REPEAT DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-01 WO disclosed