SCHEMBL29625563

SCHEMBL29625563

Brc1c(-n2c3ccccc3c3c4ccccc4ccc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPRT1 P00492 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL29625568 0.93 TDP1 (0.41) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625640 0.92 TDP1 (0.41) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625583 0.92 TDP1 (0.41) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625641 0.91 TDP1 (0.35) TDP1
SCHEMBL29625581 0.90 TDP1 (0.42) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625639 0.86 TDP1 (0.37) TDP1ALDH1A1HIF1AHSD17B10CYP1A2
SCHEMBL29625599 0.85 TDP1 (0.35) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625584 0.84 TDP1 (0.36) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625593 0.84 TDP1 (0.36) TDP1ALDH1A1CNR1CNR2POLB
SCHEMBL29625615 0.84 TDP1 (0.36) TDP1ALDH1A1CNR1CNR2POLB

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-2022131780-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
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