SCHEMBL29630147

SCHEMBL29630147

Cc1oc2cc(F)c(OCc3cccnc3C(F)(F)F)cc2c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 7/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F11 P03951 1/20 0.39
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CD38 P28907 1/20 0.35
APEX1 P27695 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL24484512 1.00 SLC26A4 (0.48) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL24485049 0.91 SLC26A4 (0.51) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL29630264 0.91 SLC26A4 (0.51) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL29630207 0.90 PTGS2 (0.47) LMNAHTTTDP1L3MBTL1F11
SCHEMBL24484498 0.90 PTGS2 (0.47) LMNAHTTTDP1L3MBTL1F11
SCHEMBL24485758 0.87 SLC26A4 (0.45) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL29630119 0.87 SLC26A4 (0.45) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL29630008 0.85 SLC26A4 (0.48) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL24485031 0.84 SLC26A4 (0.69) SLC26A4KMT2AMEN1LMNAHTT
SCHEMBL30719905 0.83 SLC26A4 (0.48) SLC26A4KMT2AMEN1LMNAHTT

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-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed