SCHEMBL31431925

SCHEMBL31431925

COC(=O)c1cc(I)c(NS(=O)(=O)c2ccc(C)cc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.57
CYP2C9 P11712 4/20 0.54
METAP2 P50579 1/20 0.51
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL31432030 0.86 POLB (0.46) FFAR4LMNAALDH1A1KDM4EHPGD
SCHEMBL18332152 0.80 FFAR4 (0.51) FFAR4CYP2C9METAP2LMNAALDH1A1
SCHEMBL6432619 0.79 METAP2 (0.76) FFAR4CYP2C9METAP2TCF4CTNNB1
SCHEMBL22391857 0.79 CYP2C9 (0.76) FFAR4CYP2C9TCF4CTNNB1LMNA
SCHEMBL10003032 0.79 FFAR4 (0.48) FFAR4CYP2C9METAP2LMNAALDH1A1
SCHEMBL10004439 0.78 ALDH1A1 (0.49) FFAR4CYP2C9METAP2LMNAALDH1A1
SCHEMBL18331907 0.76 ALDH1A1 (0.54) FFAR4CYP2C9METAP2LMNAALDH1A1
SCHEMBL18570883 0.76 FFAR4 (0.57) FFAR4CYP2C9METAP2TCF4CTNNB1
SCHEMBL10003512 0.76 METAP2 (0.47) FFAR4CYP2C9METAP2LMNAALDH1A1
SCHEMBL5956125 0.75 ALDH1A1 (0.59) FFAR4CYP2C9METAP2LMNAALDH1A1

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-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed