SCHEMBL24019474

SCHEMBL24019474

CC(C)(C)c1ccc(Nc2cc3c(o2)CC2[C@@H](C3)C(C)(C)CCC2(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.35
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1G2 P78368 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL29945233 0.70 CYP26A1 (0.36) OPRD1MEN1MAPTKMT2ACSNK1D
SCHEMBL23442778 0.65 CSNK1D (0.36) OPRD1MEN1MAPTKMT2ACSNK1D
SCHEMBL28709430 0.62 MEN1 (0.42) MEN1MAPTKMT2ACSNK1DCSNK1G2
SCHEMBL24019359 0.62 OPRD1 (0.31) OPRD1
SCHEMBL23450914 0.61 CSNK1D (0.41) MEN1MAPTKMT2ACSNK1DCSNK1G2
SCHEMBL2392625 0.61 TSHR (0.52) MEN1MAPTKMT2AALDH1A1
SCHEMBL49741 0.61 TSHR (0.52) MEN1MAPTKMT2AALDH1A1
SCHEMBL5396983 0.59 TSHR (0.46) MEN1MAPTKMT2ACSNK1DCSNK1G2
SCHEMBL29366406 0.59 CYP26A1 (0.47) OPRD1MEN1KMT2AALDH1A1
SCHEMBL23116372 0.59 CYP26A1 (0.47) OPRD1MEN1KMT2AALDH1A1

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
EP-3909958-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2021-11-17 — — EP disclosed
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