SCHEMBL27426540

SCHEMBL27426540

C1=CC(c2ccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c(-c3ccc(-c4ccc(-c5nc(C6=CCCC=C6)nc(-c6ccccc6)n5)cc4)cc3)c2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
NTSR1 P30989 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 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
SCHEMBL27426501 0.92 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL27426609 0.89 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL27426385 0.87
SCHEMBL22893131 0.86 GPR55 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL20403520 0.86 L3MBTL1 (0.41) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL24063867 0.85 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL24083987 0.85 ALOX15 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL27408615 0.84 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL27426158 0.84 DPP4 (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13262321 0.83 L3MBTL1 (0.44) MEN1KMT2AHPGDALDH1A1MAPT

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-2024144241-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed