SCHEMBL31069466

SCHEMBL31069466

CC(C)(C)c1ccc(Nc2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)c(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KCNK18 Q7Z418 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ PON1 P27169 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23421832 0.96 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL23439032 0.95 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL31069400 0.95 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL31069384 0.95 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL23439697 0.95 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL31069296 0.94 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL23439342 0.93 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29640000 0.93 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30363377 0.90 ALDH1A1 (0.36) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL26599597 0.90 ALDH1A1 (0.36) ALDH1A1MAPTRAB9AMEN1KMT2A

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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