SCHEMBL31069400

SCHEMBL31069400

CC(C)(C)c1ccc(Nc2ccc3c(c2)oc2ccccc23)c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DUSP3 P51452 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ HTT P42858 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL23439032 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL31069466 0.95 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL31069384 0.95 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL23439697 0.95 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL23439342 0.93 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL29640000 0.93 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL23421832 0.92 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL31069296 0.89 ALDH1A1 (0.40) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL23439666 0.88 ABCG2 (0.34) SMN1; SMN2KMT2ARAB9AMEN1NPC1
SCHEMBL31069433 0.88 ABCG2 (0.34) SMN1; SMN2KMT2ARAB9AMEN1NPC1

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-113924307-B Polycyclic compound and organic light-emitting element including the same 株式会社LG化学 2024-08-20 — — CN disclosed
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