SCHEMBL27422232

SCHEMBL27422232

Cc1nc2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.45
CCKBR P32239 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL27422580 0.82 HSD11B1 (0.54) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL27422022 0.76 LMNA (0.63) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL27422224 0.73 HSD17B1 (0.46) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL27422038 0.72 HSD17B1 (0.46) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL618198 0.71 HSD11B1 (0.52) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL2157474 0.71 NPSR1 (0.55) HSD17B1HSD17B2ALDH1A1HPGDHSD17B10
SCHEMBL27421278 0.71 PKM (0.54) HSD17B1HSD17B2KMT2AMEN1ALDH1A1
SCHEMBL615233 0.70 SLC40A1 (0.51) ALDH1A1LMNAPKMTP53HSD11B1
SCHEMBL2157836 0.68 ACLY (0.65) HSD17B1HSD17B2
SCHEMBL3211498 0.68 NPSR1 (0.53) HSD17B1HSD17B2KMT2AMEN1ALDH1A1

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-2024137813-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed