SCHEMBL27413330

SCHEMBL27413330

Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PDK2 Q15119 1/20 0.32
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL27413750 0.85 PDK2 (0.33) ALDH1A1PDK2
SCHEMBL29419961 0.85 MAOA (0.37) MEN1KMT2AATMCHRM3AHR
SCHEMBL14278905 0.85 MAOA (0.37) MEN1KMT2AATMCHRM3AHR
SCHEMBL24380442 0.83 PDK2 (0.44) KDM4EMEN1ALDH1A1HPGDHTT
SCHEMBL24145317 0.82 PDK2 (0.38) KMT2APDK2CHRM3LMNAAHR
SCHEMBL23503789 0.82 AHR (0.30) AHR
SCHEMBL24643537 0.82 BCHE (0.44) HPGDPDK2AHR
SCHEMBL30963998 0.82 AHR (0.43) MEN1KMT2APDK2LMNAAHR
SCHEMBL21764382 0.81 PDK2 (0.43) KDM4EMEN1ALDH1A1HPGDHTT
SCHEMBL16200995 0.80 FTO (0.43) MEN1ALDH1A1HPGDHTTKMT2A

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