SCHEMBL5310267

SCHEMBL5310267

Oc1ccc(Br)cc1/C=N/n1cncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
POLB P06746 1/20 0.59
CASP1 P29466 4/20 0.55
CASP7 P55210 3/20 0.55
KMT2A Q03164 9/20 0.51
MEN1 O00255 7/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.47
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 4/20 0.43
MITF O75030 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ASF1A Q9Y294 1/20 0.43

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
SCHEMBL4956254 0.79 POLB (0.57) GAAPOLBKMT2AMEN1MAPT
SCHEMBL5310368 0.76 AMY1A (0.71) GAACASP1CASP7KMT2AMEN1
SCHEMBL5310365 0.76 AMY1A (0.71) GAACASP1CASP7KMT2AMEN1
SCHEMBL6822831 0.69 CASP1 (0.61) GAAPOLBCASP1CASP7KMT2A
SCHEMBL30640070 0.69 CASP1 (0.61) GAAPOLBCASP1CASP7KMT2A
SCHEMBL6448832 0.69 CASP1 (0.61) GAAPOLBCASP1CASP7KMT2A
SCHEMBL6448836 0.69 CASP1 (0.61) GAAPOLBCASP1CASP7KMT2A
SCHEMBL11343000 0.68 ERN1 (0.68) GAAPOLBCASP1CASP7KMT2A
SCHEMBL11343002 0.68 ERN1 (0.68) GAAPOLBCASP1CASP7KMT2A
SCHEMBL9821551 0.68 POLB (0.48) GAAPOLBMAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed