SCHEMBL26468705

SCHEMBL26468705

c1ccc(-c2nc3ccc(N(c4ccc5ccccc5c4)c4ccc5c(ccc6cc(N(c7ccc8ccccc8c7)c7ccc8nc(-c9ccccc9)oc8c7)ccc65)c4)cc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP6 Q9GZR1 3/20 0.43
SENP8 Q96LD8 2/20 0.43
GPR119 Q8TDV5 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL26833953 0.96 ESR1 (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL25811140 0.95 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26465653 0.94 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26465659 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26833978 0.91 ESR1 (0.49) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL23667865 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26465657 0.89 MAPT (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26465658 0.89 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL25811178 0.87 GPR119 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26465029 0.87 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMAPTMEN1

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-2023071073-A1 ARYLAMINE ORGANIC COMPOUND AND USE THEREOF 广州华睿光电材料有限公司 2023-05-04 WO disclosed