SCHEMBL24485461

SCHEMBL24485461

Cc1oc2ccc(OCc3cnc(C(F)(F)F)s3)cc2c1C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SLC26A4 O43511 7/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPK10 P53779 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 5/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL29095626 1.00 GAA (0.43) GAASLC26A4KMT2ALMNAHTT
SCHEMBL29629885 1.00 GAA (0.43) GAASLC26A4KMT2ALMNAHTT
SCHEMBL29630062 0.89 GAA (0.46) GAASLC26A4KMT2ALMNAHTT
SCHEMBL24485125 0.89 GAA (0.46) GAASLC26A4KMT2ALMNAHTT
SCHEMBL31153338 0.89 GAA (0.46) GAASLC26A4KMT2ALMNAHTT
SCHEMBL24484488 0.87 SLC26A4 (0.44) GAASLC26A4KMT2ALMNAHTT
SCHEMBL24485455 0.84 GAA (0.41) GAASLC26A4KMT2ALMNAHTT
SCHEMBL29629705 0.84 GAA (0.41) GAASLC26A4KMT2ALMNAHTT
SCHEMBL29095403 0.84 GAA (0.41) GAASLC26A4KMT2ALMNAHTT
SCHEMBL24484489 0.83 GAA (0.45) GAASLC26A4KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745283-A Heterocyclic derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-12 CN claimed
CN-116745283-A Heterocyclic derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-12 CN disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed