SCHEMBL29700409

SCHEMBL29700409

COC(=O)c1ccnc(CCl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
JMJD6 Q6NYC1 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM5B Q9UGL1 4/20 0.46
KDM5A P29375 3/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL1007105 1.00 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL9364851 0.98 KDM4C (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL28561977 0.87 KDM4E (0.53) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL16880817 0.85 KDM4E (0.48) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL10263738 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31320065 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30740808 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL348975 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL7376424 0.84 JMJD6 (0.53) KDM4CKDM5CJMJD6RAB9ANPC1
SCHEMBL22005801 0.83 KDM5C (0.55) 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 4 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
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
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