SCHEMBL8109901

SCHEMBL8109901

Bc1ncn(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPT P10636 5/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15B O15296 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.37

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
SCHEMBL7044636 0.78 SMN1; SMN2 (0.51) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL1788009 0.74 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL4857635 0.74 MAPT (0.47) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL2360711 0.74 MAPT (0.47) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL7044640 0.74 HPGD (0.49) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL9300546 0.74 MAPT (0.49) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL2210435 0.74 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL458419 0.72 NPC1 (0.46) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL10691844 0.71 SMN1; SMN2 (0.45) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL20260378 0.69 MAPT (0.44) SMN1; SMN2HPGDNPC1RAB9ATSHR

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed