SCHEMBL27326451

SCHEMBL27326451

c1ccc(-c2nc(-c3ccc4ccc5c6ccncc6ccc5c4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
MAPK10 P53779 1/20 0.41
TNF P01375 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.37
PRKCZ Q05513 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDO2 P48775 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL23759246 0.89 ALDH1A1 (0.46) CYP11B1MAPTLMNANPC1RECQL
SCHEMBL27325803 0.86 CYP11B1 (0.51) CYP11B1MAPK10TNFMAPTLMNA
SCHEMBL27326613 0.86 TNF (0.52) CYP11B1MAPK10TNFMAPTLMNA
SCHEMBL24581927 0.86 CYP11B1 (0.42) CYP11B1MAPK10TNFPRKCZALDH1A1
SCHEMBL24581493 0.86 CYP11B1 (0.44) CYP11B1MAPK10PRKCZTDO2KDM4E
SCHEMBL27326619 0.85 MAPK10 (0.56) CYP11B1MAPK10TNFMAPTLMNA
SCHEMBL27342245 0.85 CYP11B1 (0.43) CYP11B1MAPK10TNFMAPTNPC1
SCHEMBL27327349 0.85 CYP11B1 (0.50) CYP11B1MAPK10TNFMAPTLMNA
SCHEMBL23759491 0.85 HPRT1 (0.45) CYP11B1MAPTLMNANPC1RECQL
SCHEMBL17932633 0.85 HPRT1 (0.45) CYP11B1MAPTLMNANPC1RECQL

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-2023234749-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-12-07 WO disclosed