SCHEMBL5310368

SCHEMBL5310368

Oc1ccc(Br)cc1C=Nn1cnnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 8/20 0.71
CASP1 P29466 4/20 0.60
CASP7 P55210 3/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5310365 1.00 AMY1A (0.71) AMY1ACASP1CASP7GAAALDH1A1
SCHEMBL3669949 0.76 AMY1A (0.65) AMY1AGAAALDH1A1MEN1KMT2A
SCHEMBL3669947 0.76 AMY1A (0.65) AMY1AGAAALDH1A1MEN1KMT2A
SCHEMBL5310267 0.76 GAA (0.59) AMY1ACASP1CASP7GAAALDH1A1
SCHEMBL6448836 0.73 CASP1 (0.61) CASP1CASP7GAAALDH1A1MEN1
SCHEMBL30640070 0.73 CASP1 (0.61) CASP1CASP7GAAALDH1A1MEN1
SCHEMBL6822831 0.73 CASP1 (0.61) CASP1CASP7GAAALDH1A1MEN1
SCHEMBL6448832 0.73 CASP1 (0.61) CASP1CASP7GAAALDH1A1MEN1
SCHEMBL4258545 0.72 CASP1 (0.59) CASP1CASP7GAAALDH1A1MEN1
SCHEMBL4346769 0.70 CASP1 (0.62) CASP1CASP7GAAALDH1A1MEN1

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed