SCHEMBL26057313

SCHEMBL26057313

c1ccc(N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1A2 P05177 4/20 0.35
▸ NQO1 P15559 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN12 Q05209 1/20 0.34
▸ PTPN22 Q9Y2R2 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL26851637 0.97 GPR3 (0.39) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL19239068 0.96 ALDH1A1 (0.40) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26056786 0.96 HPRT1 (0.40) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26057054 0.96 HPRT1 (0.42) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL21966031 0.94 ALDH1A1 (0.37) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26057258 0.93 HPRT1 (0.36) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26851245 0.93 ALDH1A1 (0.41) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26851238 0.93 ALDH1A1 (0.41) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26057053 0.93 ALDH1A1 (0.41) HPRT1GPR3ALDH1A1MAPTHPGD
SCHEMBL26057312 0.93 ALDH1A1 (0.41) HPRT1GPR3ALDH1A1MAPTHPGD

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
EP-4235829-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 — — EP disclosed
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