SCHEMBL27333922

SCHEMBL27333922

Cc1c(-c2ccccc2)c(C)n2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HPGD P15428 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MAPT P10636 8/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ PPARG P37231 3/20 0.47
▸ NCOR2 Q9Y618 3/20 0.47
▸ NR2E3 Q9Y5X4 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL13203324 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL27334431 0.70 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL25534613 0.68 PTGS2 (0.41) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL2979785 0.68 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL13203355 0.68 LMNA (0.43) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL18701285 0.67 MAPT (0.41) KMT2AGAAMAPTLMNAPTGS2
SCHEMBL28413218 0.67 PTGS2 (0.41) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL5145616 0.66 LMNA (0.50) ALDH1A1KMT2AGAAHSD17B10MAPT
SCHEMBL9701635 0.66 LMNA (0.50) ALDH1A1KMT2AHSD17B10MAPTL3MBTL1
SCHEMBL13131136 0.66 MAPT (0.41) ALDH1A1KMT2AKDM4EGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024132803-A1 FLUORESCENT PHENYL XANTHENE DYES BASF SE (DE) 2024-06-27 — — WO disclosed
WO-2024132801-A1 XANTHENE COMPOUNDS HAVING A WAVELENGTH IN THE RANGE FROM 650 TO 1200 NM BASF SE (DE) 2024-06-27 — — WO disclosed
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