SCHEMBL27329606

SCHEMBL27329606

c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cc6c7ccccc7ccc6c6cnccc56)n4)ccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.42
CYP11B1 P15538 2/20 0.40
MAPK10 P53779 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B2 P19099 1/20 0.40
CSNK2A1 P68400 2/20 0.37
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
TDO2 P48775 1/20 0.36
HIPK2 Q9H2X6 1/20 0.35
PRKCZ Q05513 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34

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
SCHEMBL27325510 0.98 TNF (0.42) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27326082 0.88 TNF (0.43) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27330145 0.87 CYP11B1 (0.46) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27325505 0.87 TDO2 (0.41) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27340227 0.87 TNF (0.42) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27340217 0.84 TNF (0.42) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27326068 0.83 TNF (0.48) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27326605 0.83 TNF (0.46) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL27327517 0.82 TNF (0.54) TNFCYP11B1MAPK10CYP17A1CYP19A1
SCHEMBL25621493 0.82 MAPT (0.43) CYP11B1CYP17A1CYP19A1CYP11B2RAB9A

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