SCHEMBL29139910

SCHEMBL29139910

COC(=O)c1ccnc(C(C)S(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
KDM4C Q9H3R0 2/20 0.51
KDM6B O15054 1/20 0.51
KDM5C P41229 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
ALOX15 P16050 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
JMJD6 Q6NYC1 1/20 0.46
POLB P06746 1/20 0.43
ACLY P53396 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DYRK1A Q13627 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL8953772 0.84 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL25933766 0.83 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL5208579 0.83 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL26910686 0.83 KDM4C (0.49) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL18547226 0.81 KDM4E (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL6918592 0.81 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL20072588 0.80 KDM4E (0.53) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL22020324 0.80 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL580680 0.80 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL25341704 0.79 KDM4E (0.51) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4298097-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
CN-116897155-A Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-10-17 CN disclosed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
CN-116406362-A Spiro [3.3] heptane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN disclosed
WO-2022180003-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 WO disclosed
WO-2022112188-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed