SCHEMBL24334459

SCHEMBL24334459

CC(C)Oc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.35
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
MAP2 P11137 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL29469663 1.00 PTGDR (0.35) PTGDRSLC6A9ALDH1A1RXFP1LMNA
SCHEMBL29469691 0.91 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL29469724 0.90 MAPT (0.39) PTGDRALDH1A1RXFP1LMNADRD2
SCHEMBL24333981 0.90 MAPT (0.39) PTGDRALDH1A1RXFP1LMNADRD2
SCHEMBL24333713 0.89 MEN1 (0.37) PTGDRALDH1A1RXFP1LMNADRD2
SCHEMBL24333774 0.89 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL24334437 0.88 KMT2A (0.38) PTGDRALDH1A1RXFP1DRD2ADRA1D
SCHEMBL29469684 0.88 ALDH1A1 (0.36) ALDH1A1LMNATRPV1
SCHEMBL24334016 0.88 ALDH1A1 (0.36) ALDH1A1LMNATRPV1
SCHEMBL24334344 0.87 KCNH2 (0.38) ALDH1A1LMNAKDM4EPOLB

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-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed