SCHEMBL22279043

SCHEMBL22279043

Fc1ccc(CNc2ccc(N3CCCCC3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.50
▸ CACNA1B Q00975 3/20 0.49
▸ CACNA1H O95180 2/20 0.49
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ ELOVL1 Q9BW60 3/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KIT P10721 1/20 0.44
▸ GAA P10253 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL22279049 0.99 P4HTM (0.51) P4HTMCACNA1BCACNA1HLMNAKDM4E
SCHEMBL22279080 0.87 ALDH1A1 (0.53) CACNA1BKDM4EALDH1A1KITSMN1; SMN2
SCHEMBL22279048 0.86 GAA (0.55) P4HTMLMNAKDM4EALDH1A1KCNQ3
SCHEMBL22279042 0.85 P4HTM (0.47) P4HTMCACNA1BCACNA1HLMNAKDM4E
SCHEMBL22279044 0.83 CACNA1B (0.48) P4HTMCACNA1BCACNA1HLMNAKDM4E
SCHEMBL22279046 0.81 GAA (0.46) P4HTMCACNA1BLMNAKDM4EOPRM1
SCHEMBL22279027 0.81 RXFP1 (0.48) P4HTMCACNA1BCACNA1HLMNAKDM4E
SCHEMBL3058922 0.80 HRH4 (0.53) KDM4EGAAL3MBTL1MAPTALOX15
SCHEMBL4738295 0.80 BPTF (0.51) P4HTMLMNAKDM4EGAAL3MBTL1
SCHEMBL4737532 0.80 GAA (0.51) LMNAKDM4EALDH1A1KCNQ3KCNQ2

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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