SCHEMBL30800183

SCHEMBL30800183

CC(C)(C)[Si](C)(C)Oc1cccc(-c2cn3c(=O)c(Cc4cccs4)nc-3c(Cc3ccccc3)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ USP2 O75604 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 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
SCHEMBL21751391 1.00 MAOA (0.33) MAOAADORA2AADORA2BADORA1MEN1
SCHEMBL30514739 0.92 MAOA (0.38) MAOAMEN1KMT2AALDH1A1KDM4E
SCHEMBL21751381 0.92 MAOA (0.38) MAOAMEN1KMT2AALDH1A1KDM4E
SCHEMBL21751418 0.87 SMN1; SMN2 (0.39) MAOAMEN1LMNAKMT2AALDH1A1
SCHEMBL30800137 0.87 LTB4R (0.40) MAOAADORA2AADORA1MEN1USP2
SCHEMBL21751333 0.87 MAOA (0.35) MAOAMEN1CYP1A2KMT2AALDH1A1
SCHEMBL30800205 0.87 SMN1; SMN2 (0.39) MAOAMEN1LMNAKMT2AALDH1A1
SCHEMBL21751395 0.87 LTB4R (0.40) MAOAADORA2AADORA1MEN1USP2
SCHEMBL21751347 0.86 MAOA (0.34) MAOAMEN1KMT2AALDH1A1
SCHEMBL25760291 0.86 KMT2A (0.36) ADORA2AADORA2BADORA1MEN1USP2

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
CN-112513188-B Coelenterazine analogs 普洛麦格公司 2024-01-26 — — CN disclosed
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