SCHEMBL21909808

SCHEMBL21909808

Cc1ccc2nc(NC(=O)c3cccc(SN4CCc5ccccc54)c3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
KDM4E B2RXH2 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 6/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
SCD O00767 2/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
HPGD P15428 4/20 0.52
LRRK2 Q5S007 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
RECQL P46063 1/20 0.49
KLK7 P49862 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
OPRK1 P41145 1/20 0.48
MAP3K5 Q99683 1/20 0.48
HPGDS O60760 1/20 0.47

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
SCHEMBL21376523 0.89 SCD (0.62) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21376532 0.86 MAPT (0.70) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21376799 0.84 SCD (0.60) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL663583 0.80 MAPT (0.82) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21376521 0.80 SCD (0.62) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5713530 0.76 MAP3K5 (0.75) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21376581 0.75 ADORA3 (0.57) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21376928 0.75 L3MBTL1 (0.61) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL29978060 0.73 MAPT (1.00) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL662501 0.73 MAPT (1.00) MAPTKDM4ESMN1; SMN2MEN1KMT2A

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