SCHEMBL8744265

SCHEMBL8744265

Nc1ccc(-c2ncnc(N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL11779857 0.91 MEN1 (0.56) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL28606940 0.83 ADORA2A (0.57) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31366845 0.83 SMN1; SMN2 (0.51) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31461473 0.83 ADORA2A (0.61) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15684018 0.83 MEN1 (0.62) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3421908 0.83 ADORA2A (0.61) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4948820 0.81 ADORA2A (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31528318 0.81 ADORA2A (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL14432249 0.79 KMT2A (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL28464263 0.79 NPC1 (0.68) NPC1RAB9AALDH1A1KMT2AMAPT

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
EP-0753542-A1 Polyazo dyestuffs BAYER AG (DE) 1997-01-15 EP disclosed