SCHEMBL27411802

SCHEMBL27411802

C1=C2Cc3ccccc3C=C2Sc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.42
PTGS2 P35354 2/20 0.42
CYP11B1 P15538 2/20 0.42
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GPR84 Q9NQS5 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
TRPA1 O75762 2/20 0.31

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
SCHEMBL7205941 0.76 PTGS2 (0.57) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL30664496 0.76 PTGS2 (0.57) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL29643017 0.72 GPR84 (0.37) GPR84TRPA1
SCHEMBL29672905 0.70 PTGS2 (0.67) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL7180542 0.70 PTGS2 (0.67) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL1477472 0.69 GPR84 (0.30) GPR84
SCHEMBL7172726 0.69 PTGS2 (0.65) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL31608568 0.69 CYP11B2 (0.65) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL319265 0.69 CYP11B2 (0.65) CYP11B2PTGS2CYP11B1MAOAMAOB
SCHEMBL29606538 0.69 PTGS2 (0.65) CYP11B2PTGS2CYP11B1MAOAMAOB

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-2024136503-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-06-27 WO disclosed