SCHEMBL27390949

SCHEMBL27390949

c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6c7ccccc7ccc6c45)n3)c3c(c2)oc2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 6/20 0.37
▸ CYP1B1 Q16678 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 4/20 0.31
▸ ALOX15 P16050 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
SCHEMBL27391642 0.94 CYP1A1 (0.37) CYP1A1CYP1B1ALDH1A1MAPTTDP1
SCHEMBL24193170 0.93 CYP1A1 (0.38) CYP1A1CYP1B1ALDH1A1MAPTTDP1
SCHEMBL24193171 0.91 CYP1A1 (0.39) CYP1A1CYP1B1ALDH1A1MAPTTDP1
SCHEMBL23819374 0.90 CYP1A1 (0.38) CYP1A1CYP1B1ALDH1A1MAPTTDP1
SCHEMBL24123250 0.90 CYP1A1 (0.39) CYP1A1CYP1B1ALDH1A1MAPTTDP1
SCHEMBL26217605 0.90 MAPT (0.32) ALDH1A1MAPTTDP1L3MBTL1MAPK1
SCHEMBL23822040 0.89 CYP1A1 (0.37) CYP1A1CYP1B1ALDH1A1MAPTTDP1
SCHEMBL26220782 0.89 ALOX5 (0.33) ALDH1A1MAPTTDP1L3MBTL1MAPK1
SCHEMBL23821281 0.89 BRDT (0.33) ALDH1A1MAPTTDP1L3MBTL1MAPK1
SCHEMBL24193233 0.89 L3MBTL1 (0.35) CYP1A1CYP1B1ALDH1A1MAPTTDP1

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-2024111923-A1 ORGANIC LIGHT-EMITTING DEVICE, AND COMPOSITION FOR FORMING ORGANIC MATERIAL LAYER 엘티소재주식회사 2024-05-30 — — WO disclosed
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