SCHEMBL31362591

SCHEMBL31362591

CCN(CC)C(=O)c1ccsc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
KIF11 P52732 1/20 0.41
GUSB P08236 1/20 0.41
KEAP1 Q14145 1/20 0.41
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4164088 0.84 ABCC1 (0.38) ABCC1NPC1RAB9AHPGDTDP1
SCHEMBL4164473 0.79 NAMPT (0.41) ALDH1A1KDM4ENPC1HPGDTDP1
SCHEMBL14134217 0.78 MAPT (0.44) ABCC1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7013954 0.77 ABCC1 (0.42) ABCC1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL29956709 0.77 ABCC1 (0.42) ABCC1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14052434 0.74 PTGS1 (0.48) ABCC1ALDH1A1RAB9AHPGDMAPT
SCHEMBL25412667 0.73 NAMPT (0.45) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL15853778 0.73 CLK1 (0.38) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL8700238 0.72 HPGD (0.44) ALDH1A1NPC1RAB9AHPGDTDP1
SCHEMBL1844052 0.72 TSHR (0.57) ALDH1A1KDM4ENPC1RAB9AHPGD

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-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 WO disclosed