SCHEMBL29625613

SCHEMBL29625613

Brc1c(N(c2ccccc2)c2cccc3ccccc23)cccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ SIGMAR1 Q99720 9/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ PER2 O15055 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRY1 Q16526 1/20 0.32
▸ CRY2 Q49AN0 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL29625629 0.93 SIGMAR1 (0.33) ALDH1A1SIGMAR1
SCHEMBL29625601 0.91 SIGMAR1 (0.33) ALDH1A1SIGMAR1L3MBTL1KDM4EATM
SCHEMBL29625607 0.90 SIGMAR1 (0.33) ALDH1A1SIGMAR1TDP1
SCHEMBL25847027 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EATMMEN1
SCHEMBL28052622 0.86 ALDH1A1 (0.39) ALDH1A1SIGMAR1L3MBTL1KDM4EATM
SCHEMBL29625562 0.85 SIGMAR1 (0.34) SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL29625571 0.84 SIGMAR1 (0.34) ALDH1A1SIGMAR1MEN1PER2MAPT
SCHEMBL24090076 0.84 ALDH1A1 (0.37) ALDH1A1SIGMAR1L3MBTL1KDM4EATM
SCHEMBL28235184 0.83 ALDH1A1 (0.36) ALDH1A1SIGMAR1L3MBTL1KDM4EATM
SCHEMBL29627276 0.82 SIGMAR1 (0.45) ALDH1A1SIGMAR1L3MBTL1HPGDCYP1A2

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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