SCHEMBL29458672

SCHEMBL29458672

Cc1ccccc1Nc1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ SLC2A1 P11166 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ C1R P00736 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CCR4 P51679 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL18101710 1.00 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2TP53SLC2A1
SCHEMBL23967732 0.91 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL29458781 0.85 NPC1 (0.38) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL20636768 0.85 NPC1 (0.38) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL15852948 0.85 GAA (0.49) ALDH1A1LMNASMN1; SMN2TP53SLC2A1
SCHEMBL16185334 0.82 GABRA1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL20984008 0.80 NPSR1 (0.41) SMN1; SMN2SLC2A1MEN1KMT2AMAPT
SCHEMBL29470081 0.80 NPSR1 (0.41) SMN1; SMN2SLC2A1MEN1KMT2AMAPT
SCHEMBL21111351 0.80 CA2 (0.46) ALDH1A1MEN1KMT2ATDP1GABRA1
SCHEMBL22740859 0.79 LMNA (0.44) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1

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-109071449-B Compound and organic electronic element comprising same 株式会社LG化学 2022-04-15 — — CN disclosed
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