SCHEMBL15958657

SCHEMBL15958657

C=CCNc1nc2ccccc2nc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
NPY1R P25929 1/20 0.43
SUMO3 P55854 1/20 0.42
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
HPGD P15428 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13595022 0.86 KDM4E (0.53) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL12669858 0.84 MEN1 (0.44) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL14191220 0.84 MEN1 (0.44) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL8141827 0.76 HRH4 (0.52) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL14218356 0.76 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL15958611 0.75 KDM4E (0.63) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL15958630 0.74 APP (0.52) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL10844115 0.73 KDM4E (0.49) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL15958613 0.72 KDM4E (0.44) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL7474377 0.71 NQO2 (0.56) MEN1KMT2ASMN1; SMN2MAPTRAB9A

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
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed