SCHEMBL22279044

SCHEMBL22279044

Fc1ccc(CNc2cnc(N3CCCCC3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.48
▸ CACNA1H O95180 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CTNNB1 P35222 3/20 0.46
▸ TCF7L2 Q9NQB0 3/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ ACHE P22303 2/20 0.44
▸ KIT P10721 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL3053519 0.90 CACNA1B (0.47) CACNA1BCACNA1HKDM4EALDH1A1CTNNB1
Hydrochloric Acid SCHEMBL4738978 0.89 CACNA1B (0.46) CACNA1BCACNA1HKDM4EALDH1A1CTNNB1
SCHEMBL22279054 0.86 KDM4E (0.57) KDM4EALDH1A1CTNNB1TCF7L2ACHE
SCHEMBL22279043 0.83 P4HTM (0.50) CACNA1BCACNA1HKDM4EALDH1A1LMNA
SCHEMBL22279049 0.81 P4HTM (0.51) CACNA1BCACNA1HKDM4EALDH1A1SIGMAR1
SCHEMBL14504164 0.81 HTT (0.54) ALDH1A1CTNNB1TCF7L2LMNAALOX15
SCHEMBL2464412 0.77 GAA (0.67) CACNA1BCACNA1HKDM4EALDH1A1LMNA
SCHEMBL22279092 0.77 CNR2 (0.45) CACNA1BCACNA1HKDM4EALDH1A1P4HTM
SCHEMBL30635494 0.75 CACNA1B (0.50) CACNA1BCACNA1HKDM4EALDH1A1CTNNB1
SCHEMBL22278918 0.75 ACHE (0.58) KDM4EACHEGAAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020151686-A1 N-HETEROARYL SULFONAMIDE DERIVATIVE, PREPARATION AND USE THEREOF IN TREATMENT OF AUTOIMMUNE DISEASES 杭州壹瑞医药科技有限公司 2020-07-30 — — WO disclosed
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