SCHEMBL31407975

SCHEMBL31407975

COC(=O)c1ncccc1SCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
KDM4E B2RXH2 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP3A4 P08684 1/20 0.40
IDO1 P14902 3/20 0.39
MALT1 Q9UDY8 1/20 0.39
METAP1 P53582 1/20 0.39
ATR Q13535 1/20 0.38
POLB P06746 1/20 0.38
PDK2 Q15119 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL31332218 1.00 L3MBTL1 (0.53) L3MBTL1CA12CA1CA2CA9
SCHEMBL17929577 0.81 CA12 (0.39) CA12CA1CA2CA9MTNR1A
SCHEMBL17933714 0.80 STK17B (0.39) CA12CA1CA2CA9MTNR1A
SCHEMBL23177724 0.78 CA1 (0.47) L3MBTL1CA12CA1CA2CA9
SCHEMBL31407999 0.77 L3MBTL1 (0.64) L3MBTL1CA2POLB
Hydrochloric Acid SCHEMBL31408057 0.76 L3MBTL1 (0.62) L3MBTL1CA2POLB
Hydrochloric Acid SCHEMBL31407932 0.76 L3MBTL1 (0.62) L3MBTL1CA2POLB
SCHEMBL761060 0.76 KDM4E (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL25470760 0.75 RAB9A (0.51) CA12CA1CA2CA9MTNR1A
SCHEMBL17892719 0.75 POLB (0.37) KDM4EMTNR1AMTNR1BIDO1MALT1

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
EP-4745139-A1 COMPOUND FOR TREATING AND PREVENTING RESPIRATORY SYNCYTIAL VIRUS INFECTION DISEASES CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2026-05-20 EP disclosed
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