SCHEMBL26949404

SCHEMBL26949404

c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccc7cccc(-c8c9ccccc9c(-c9cccc%10oc%11ccccc%11c9%10)c9ccccc89)c7c6)cc45)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ GSTP1 P09211 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL24285488 0.97 TDP1 (0.39) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL26949485 0.96 TDP1 (0.35) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL26949646 0.96 TDP1 (0.37) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL26949561 0.95 PLA2G2A (0.35) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL29306830 0.95 TDP1 (0.39) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL26949747 0.94 TDP1 (0.38) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL26949748 0.93 HSD17B1 (0.37) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL18382852 0.93 L3MBTL1 (0.39) TDP1L3MBTL1CYP1A1CYP1B1CASP3
SCHEMBL26949405 0.92 KDM4E (0.38) TDP1L3MBTL1CYP1A1CASP3SENP7
SCHEMBL26950238 0.92 TDP1 (0.38) TDP1L3MBTL1CYP1A1CYP1B1CASP3

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
WO-2023239193-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
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