SCHEMBL21586427

SCHEMBL21586427

COc1cc(Cl)cc(C(F)(F)F)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR2A P28223 7/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ MAP3K14 Q99558 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ AR P10275 1/20 0.36
▸ HTR2B P41595 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TRPV4 Q9HBA0 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
SCHEMBL17864622 0.80 ACHE (0.46) ALDH1A1HPGDHSD17B10HTR2AHTR2C
SCHEMBL18007684 0.79 HTR2A (0.40) ALDH1A1HTR2AHTR2CMAP3K14ERN1
SCHEMBL13256218 0.79 ERN1 (0.45) MAP3K14ERN1GAAMAPTTRPV4
SCHEMBL19871663 0.77 HTR2A (0.38) ALDH1A1HTR2AHTR2CERN1AR
SCHEMBL19871672 0.77 HTR2A (0.38) ALDH1A1HTR2AHTR2CMAP3K14ERN1
SCHEMBL13696501 0.75 HSD11B1 (0.37) ALDH1A1HSD17B10MAPTTMPRSS4
SCHEMBL13550053 0.75 TMPRSS4 (0.36) ARMAPTTMPRSS4
SCHEMBL25958932 0.74 ERN1 (0.39) HPGDMAP3K14ERN1LMNAGAA
SCHEMBL11425977 0.73 MAP3K14 (0.46) MAP3K14ERN1GAAMAPTTRPV4
SCHEMBL10118361 0.73 MAPT (0.42) ALDH1A1HPGDHSD17B10HTR2CMAP3K14

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
EP-3888749-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2021-10-06 — — EP disclosed
EP-3578547-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2019-12-11 — — EP disclosed
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