SCHEMBL29852002

SCHEMBL29852002

COC(=O)c1ccc2scnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
HKDC1 Q2TB90 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD11B1 P28845 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL1538274 1.00 NAMPT (0.51) NAMPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL28091184 0.88 NPC1 (0.46) NAMPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL507242 0.87 RAB9A (0.66) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL31266420 0.83 SMN1; SMN2 (0.51) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL260218 0.83 SMN1; SMN2 (0.51) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL8861663 0.81 NPC1 (0.53) NAMPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL5279767 0.81 NAMPT (0.46) NAMPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL17546404 0.81 THRB (0.59) NAMPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL30147616 0.81 THRB (0.59) NAMPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL17540483 0.80 TAS1R3 (0.55) NAMPTNPC1RAB9AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
CN-118401502-A Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists 百时美施贵宝公司 2024-07-26 CN disclosed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
CN-116133692-A Methods of treating mutant lymphomas 凯麦拉医疗公司 2023-05-16 CN disclosed
CN-109843879-B Benzothiazole derivatives as DYRK1 inhibitors 药物治疗股份有限公司 2023-05-02 CN disclosed
CN-115052627-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2022-09-13 CN disclosed