SCHEMBL29625626

SCHEMBL29625626

Brc1c(-n2c3ccccc3c3cc4ccccc4cc32)cccc1-n1c2cc3ccccc3cc2c2c3ccccc3ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 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
SCHEMBL29625628 0.99 TDP1 (0.36) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625599 0.97 TDP1 (0.35) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625584 0.96 TDP1 (0.36) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625577 0.95 TDP1 (0.39) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625641 0.90 TDP1 (0.35) TDP1
SCHEMBL29625639 0.90 TDP1 (0.37) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625568 0.89 TDP1 (0.41) TDP1ALDH1A1HSD17B10HIF1ACNR1
SCHEMBL29625620 0.89 ALDH1A1 (0.40) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625622 0.89 ALDH1A1 (0.40) TDP1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29625578 0.88 TDP1 (0.38) TDP1ALDH1A1HSD17B10HIF1ACYP1B1

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
Send feedback