SCHEMBL8284487

SCHEMBL8284487

Bc1ccnc(/C(C)=N/O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
KDM6B O15054 1/20 0.31
TET3 O43151 1/20 0.31
KDM4A O75164 1/20 0.31
BBOX1 O75936 1/20 0.31
MAPT P10636 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5C P41229 1/20 0.31
ASPH Q12797 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
TET2 Q6N021 1/20 0.31
ALKBH5 Q6P6C2 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
SCHEMBL6840488 0.80 KDM4E (0.55) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16139802 0.78 KDM4E (0.53) KDM4EMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13593104 0.78 KDM4E (0.53) KDM4EMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19615659 0.76 KDM4E (0.50) KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL19632068 0.76 KDM4E (0.50) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19615702 0.76 KDM4E (0.50) KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9243795 0.74 KDM4E (0.49) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL19631996 0.74 KDM4E (0.49) KDM4EMAPTKDM4C
SCHEMBL8570227 0.74 KDM4E (0.49) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL19632024 0.74 KDM4E (0.49) KDM4ERAB9ASMN1; SMN2ALDH1A1KDM6B

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-2005061450-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2005-07-07 WO disclosed