SCHEMBL31056807

SCHEMBL31056807

O=C(O)c1cc(C2OCCO2)c(OCc2ccccc2)c2scnc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.35
MCL1 Q07820 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DHODH Q02127 7/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC16A3 O15427 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NR4A2 P43354 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
SCHEMBL31055978 0.78 CTSV (0.41) FOLH1MCL1MEN1KMT2ASLC16A3
SCHEMBL31056382 0.78 MCL1 (0.39) FOLH1MCL1MEN1KMT2ACTSV
SCHEMBL31056353 0.75 MCL1 (0.39) FOLH1MCL1MEN1KMT2ACTSV
SCHEMBL31056034 0.74 CTSV (0.41) MEN1KMT2ACTSVCTSLLMNA
SCHEMBL31056459 0.72 FOLH1 (0.45) FOLH1MCL1KDM4EALDH1A1CTSV
SCHEMBL31056825 0.72 MCL1 (0.47) FOLH1MCL1KDM4EALDH1A1DHODH
SCHEMBL31056217 0.72 FOLH1 (0.48) FOLH1MCL1KDM4EALDH1A1MEN1
SCHEMBL31056360 0.72 CTSV (0.42) FOLH1MCL1CTSVCTSLNR4A2
SCHEMBL31056045 0.72 PTGER1 (0.50) FOLH1MCL1KDM4EALDH1A1MEN1
SCHEMBL31056479 0.71 MEN1 (0.47) KDM4EALDH1A1MEN1KMT2AHPGD

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed