SCHEMBL31444503

SCHEMBL31444503

COC(=O)c1ccc(N2CC[S+]([O-])CC2c2ccccc2Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 8/20 0.36
GAA P10253 5/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 4/20 0.36
HPGD P15428 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL31444350 0.88 RORC (0.40) NR1H4HSP90AA1HSP90AB1FFAR2RORC
SCHEMBL31444409 0.81 NR1H4 (0.41) NR1H4ALDH1A1GAAHSD17B10KDM4E
SCHEMBL31444401 0.81 NR1H4 (0.39) NR1H4ALDH1A1GAAHSD17B10KDM4E
SCHEMBL31443447 0.80 NR1H2 (0.32) RORC
SCHEMBL31444288 0.79 NR1H4 (0.43) NR1H4ALDH1A1GAAHSD17B10KDM4E
SCHEMBL31444516 0.78 NR1H4 (0.43) NR1H4ALDH1A1GAAHSD17B10KDM4E
SCHEMBL31444520 0.77 RORC (0.43) NR1H4ALDH1A1GAAHSD17B10KDM4E
SCHEMBL31444351 0.76 NR1H4 (0.41) NR1H4ALDH1A1GAAHSD17B10KDM4E
SCHEMBL16599996 0.71 KMT2A (0.48) ALDH1A1GAAHSD17B10KDM4EL3MBTL1
SCHEMBL31444296 0.69 TP53 (0.38) NR1H4ALDH1A1GAAHSD17B10KDM4E

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed