SCHEMBL26465683

SCHEMBL26465683

c1ccc(-c2nc3ccc(N(c4ccc5c(ccc6cc(N(c7ccc8oc9ccccc9c8c7)c7cccc8ccccc78)ccc65)c4)c4cccc5ccccc45)cc3o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CASP3 P42574 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SENP8 Q96LD8 2/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
KMT2A Q03164 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
SCHEMBL26465655 0.93 MAPT (0.42) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL26467323 0.89 SMN1; SMN2 (0.41) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL26465658 0.86 SMN1; SMN2 (0.43) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL23511802 0.85 ALDH1A1 (0.38) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL26468243 0.84 NPC1 (0.45) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL23759243 0.84 DHODH (0.36) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL25524405 0.84 KDM4E (0.38) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL25524483 0.83 SMN1; SMN2 (0.40) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL25525212 0.83 DHODH (0.37) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL23667867 0.83 ESR1 (0.44) MAPTKDM4EHPGDALDH1A1HSD17B10

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