SCHEMBL22279048

SCHEMBL22279048

Fc1ccc(CNc2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.55
▸ MAPT P10636 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ DGAT1 O75907 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ STAT6 P42226 1/20 0.50
▸ KCNQ3 O43525 1/20 0.49
▸ KCNQ2 O43526 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48

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
SCHEMBL4737532 0.94 GAA (0.51) GAAMAPTRAB9AKDM4ENPC1
SCHEMBL22279049 0.88 P4HTM (0.51) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL22279043 0.86 P4HTM (0.50) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL2449960 0.85 RAB9A (0.70) GAAMAPTRAB9AKDM4ENPC1
SCHEMBL22279027 0.84 RXFP1 (0.48) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL22279054 0.84 KDM4E (0.57) GAAMAPTRAB9AKDM4ENPC1
SCHEMBL22279042 0.83 P4HTM (0.47) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL22279046 0.79 GAA (0.46) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL21917393 0.79 MAPT (0.54) GAAMAPTRAB9AKDM4ENPC1
SCHEMBL31610745 0.78 ALDH1A1 (0.59) GAAMAPTRAB9AKDM4ENPC1

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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