SCHEMBL31332380

SCHEMBL31332380

O=S1(=O)CCNCc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKBIA P25963 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16358849 0.76 SMN1; SMN2 (0.33) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL25769255 0.75 SMN1; SMN2 (0.32) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL31332170 0.75 CD44 (0.36) SLC40A1MEN1LMNAOPRK1KMT2A
SCHEMBL2589655 0.73 CD44 (0.45) MEN1KMT2A
SCHEMBL16860041 0.73 CYP19A1 (0.33) SLC40A1KDM4ELMNAKMT2ATDP1
Hydrochloric Acid SCHEMBL5849050 0.71 CD44 (0.44) MEN1KMT2A
SCHEMBL13786479 0.71 SLC40A1 (0.37) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL18173654 0.69 GAK (0.31) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL16860039 0.68 GRIA2 (0.35) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL31332057 0.68 CHRNB2 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011580-A1 COMPOUND FOR TREATING AND PREVENTING RESPIRATORY SYNCYTIAL VIRUS INFECTION DISEASES 石药集团中奇制药技术(石家庄)有限公司 2025-01-16 WO disclosed
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed