SCHEMBL31369124

SCHEMBL31369124

c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MPI P34949 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 3/20 0.38
ATM Q13315 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 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
SCHEMBL17932319 1.00 CYP11B1 (0.51) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL23065684 0.98 CYP11B1 (0.50) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL24255975 0.97 CYP11B1 (0.49) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL18878261 0.97 CYP11B1 (0.51) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL24030385 0.97 CYP11B1 (0.51) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL18533197 0.97 CYP11B1 (0.51) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL9958660 0.96 CYP11B1 (0.54) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL21305102 0.95 CYP11B1 (0.50) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL25662214 0.95 CYP11B1 (0.50) CYP11B1ALDH1A1MAPTHPGDMEN1
SCHEMBL22512511 0.93 CYP11B1 (0.49) CYP11B1ALDH1A1MAPTHPGDMEN1

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-113166098-B Triazine compound, material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2024-12-13 CN disclosed