SCHEMBL29625639

SCHEMBL29625639

Brc1c(-n2c3cc4ccccc4cc3c3c4ccccc4ccc32)cccc1-n1c2cc3ccccc3cc2c2ccc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29625586 0.96 TDP1 (0.38) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625578 0.96 TDP1 (0.38) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625641 0.95 TDP1 (0.35) TDP1
SCHEMBL29625577 0.92 TDP1 (0.39) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625626 0.90 TDP1 (0.35) TDP1CYP1A2ALDH1A1HIF1ACYP1B1
SCHEMBL29625584 0.88 TDP1 (0.36) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625593 0.88 TDP1 (0.36) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625615 0.88 TDP1 (0.36) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625628 0.88 TDP1 (0.36) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29625594 0.88 TDP1 (0.36) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1

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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