SCHEMBL23206872

SCHEMBL23206872

c1ccc2c(c1)sc1cc(Nc3ccc(C45C[C@@H]6CC7C[C@@H](C4)C76C5)cc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR3 P46089 1/20 0.33
▸ HDAC1 Q13547 1/20 0.31
▸ IDO1 P14902 3/20 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
SCHEMBL23057428 0.84 EPHX2 (0.43) PTGIRMAPTALDH1A1HPGDRAB9A
SCHEMBL22815335 0.80 ALDH1A1 (0.42) MAPTALDH1A1HPGD
SCHEMBL23206879 0.79 KMT2A (0.43) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22815307 0.78 ALDH1A1 (0.32) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17283743 0.76 GPR3 (0.58) PTGIRMAPTALDH1A1HPGDRAB9A
SCHEMBL27393994 0.75 PTGIR (0.36) PTGIRMAPTALDH1A1HPGDRAB9A
SCHEMBL15901763 0.74 GPR3 (0.52) PTGIRMAPTALDH1A1HPGDRAB9A
SCHEMBL30961929 0.74 GPR3 (0.52) PTGIRMAPTALDH1A1HPGDRAB9A
SCHEMBL23195209 0.73 ALDH1A1 (0.39) MAPTALDH1A1HPGDRAB9A
SCHEMBL21086889 0.73 ALDH1A1 (0.50) PTGIRMAPTALDH1A1HPGDRAB9A

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-2021066350-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-04-08 — — WO disclosed
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