SCHEMBL21909752

SCHEMBL21909752

O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(SN2CCCc3ccccc32)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MITF O75030 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC2A1 P11166 2/20 0.47
GRM1 Q13255 1/20 0.47
ADORA3 P0DMS8 7/20 0.46
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
NPC1 O15118 3/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 3/20 0.45
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
AGTR1 P30556 1/20 0.44
APOBEC3G Q9HC16 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
SCHEMBL21910106 0.87 ADORA3 (0.55) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL21376786 0.87 ADORA3 (0.59) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL663003 0.82 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL29978654 0.82 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL21376581 0.82 ADORA3 (0.57) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL21376323 0.81 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL21376927 0.78 ADORA3 (0.64) L3MBTL1KDM4EALDH1A1MAPTGRM1
SCHEMBL21376507 0.75 SMN1; SMN2 (0.62) KDM4EALDH1A1MAPTGAAADORA3
SCHEMBL21376528 0.75 ADORA3 (0.64) L3MBTL1KDM4EALDH1A1MITFMAPT
SCHEMBL21909800 0.74 ATM (0.44) L3MBTL1KDM4EALDH1A1MAPTGAA

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
EP-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed