SCHEMBL27284782

SCHEMBL27284782

c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4)nc(C45c6ccccc6C(c6ccccc64)c4ccccc45)n3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GP6 Q9HCN6 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ GLA P06280 1/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ GPR68 Q15743 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
SCHEMBL27284791 0.91 TSHR (0.36) ADORA2AADORA3ALOX15TSHRADORA2B
SCHEMBL27284454 0.86 ALOX5 (0.37) TSHRMEN1ALDH1A1MAPTKMT2A
SCHEMBL27281966 0.84 MEN1 (0.43) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL27283462 0.82 MEN1 (0.41) ADORA2AADORA3ALOX15TSHRADORA2B
SCHEMBL27281980 0.82 ADORA2A (0.41) ADORA2AADORA3ALOX15TSHRADORA2B
SCHEMBL27283449 0.82 L3MBTL1 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL27281970 0.82 MEN1 (0.40) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL27282074 0.79 L3MBTL1 (0.41) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL27282080 0.79 TSHR (0.42) ADORA2AADORA3ALOX15TSHRADORA2B
SCHEMBL27287202 0.79 L3MBTL1 (0.41) ADORA2AADORA3ADORA2BADORA1MEN1

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-2024013004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 — — WO disclosed
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