SCHEMBL29517880

SCHEMBL29517880

Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
TP53 P04637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BIRC5 O15392 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
CYP2A6 P11509 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.48
ABCB1 P08183 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL20385215 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL18064480 0.97 BIRC5 (0.54) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL22914334 0.96 CYP2A6 (0.52) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL30516195 0.89 ALDH1A1 (0.57) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL18646159 0.89 ALDH1A1 (0.57) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL19041681 0.89 NPC1 (0.57) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL29380063 0.89 NPC1 (0.57) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL16026514 0.89 NPC1 (0.57) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL30390337 0.89 NPC1 (0.57) SMN1; SMN2MEN1ALDH1A1KMT2ATP53
SCHEMBL30495451 0.89 RAB9A (0.61) SMN1; SMN2MEN1ALDH1A1KMT2ATP53

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
CN-114479835-A Organic electroluminescent compounds, various host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2022-05-13 CN disclosed