SCHEMBL1648244

SCHEMBL1648244

CCSc1cc(C(=O)O)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.50
KDM5B Q9UGL1 6/20 0.50
KDM5A P29375 5/20 0.50
KDM5C P41229 4/20 0.50
KDM4E B2RXH2 3/20 0.50
KDM6B O15054 3/20 0.50
KDM2A Q9Y2K7 3/20 0.50
KDM3A Q9Y4C1 3/20 0.50
KDM4A O75164 3/20 0.50
KDM4D Q6B0I6 3/20 0.50
TET3 O43151 1/20 0.50
BBOX1 O75936 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ASPH Q12797 1/20 0.50
TET2 Q6N021 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
KDM7A Q6ZMT4 1/20 0.50
KDM8 Q8N371 1/20 0.50
TET1 Q8NFU7 1/20 0.50

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
SCHEMBL10796248 0.86 DDB1 (0.46) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL28851024 0.82 KDM4E (0.47) KDM5AKDM4EALDH1A1MAPTNPC1
SCHEMBL20590890 0.82 HPGD (0.67) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL31706136 0.82 HPGD (0.67) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL16431313 0.80 KDM4C (0.55) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL2096200 0.80 KDM4C (0.59) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL19330255 0.78 ALOX15 (0.43) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11504722 0.78 KDM5C (0.57) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL11504717 0.78 KDM4C (0.57) KDM4CKDM5BKDM5AKDM5CKDM4E
SCHEMBL29185061 0.77 HPGD (0.45) KDM4CKDM5BKDM5AKDM5CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN 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-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
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
WO-2011049223-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed