SCHEMBL29839401

SCHEMBL29839401

CC(C)(C)c1cc(N)c2c(N)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ MELK Q14680 1/20 0.34
▸ STK24 Q9Y6E0 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ NPC1 O15118 3/20 0.32

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
SCHEMBL30625043 0.83 POLB (0.46) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL21247563 0.83 POLB (0.46) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL243712 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL28242629 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBKDM4E
Pyrene SCHEMBL28242628 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL295299 0.74 ALDH1A1 (0.45) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL27780852 0.74 CYP3A4 (0.38) GAAALDH1A1KMT2ARECQLPOLB
SCHEMBL23479608 0.73 ALDH1A1 (0.48) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL7752006 0.73 CYP3A4 (0.43) GAAALDH1A1KMT2AMAPTRECQL
SCHEMBL133411 0.72 CYP1A2 (0.39) GAAALDH1A1KMT2AMEN1POLB

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-110603257-B Polycyclic aromatic hydrocarbon derivative, fluorescent material, phosphorescent material, and light control material 积水化学工业株式会社 2022-08-16 — — CN disclosed
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