SCHEMBL21376523

SCHEMBL21376523

COc1ccc2nc(NC(=O)c3cccc(SN4CCc5ccccc54)c3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.62
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
DHODH Q02127 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
CLK1 P49759 1/20 0.55
TP53 P04637 1/20 0.53
LRRK2 Q5S007 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL21376799 0.95 SCD (0.60) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL21376521 0.92 SCD (0.62) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL21909808 0.89 MAPT (0.58) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL21909805 0.82 SCD (0.60) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL665605 0.81 MAPT (0.79) SCDKMT2AMEN1MAPTLMNA
SCHEMBL21376803 0.81 RXFP1 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL663484 0.78 MAPT (0.71) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL31065 0.78 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL664543 0.78 MAPT (0.80) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL21376338 0.78 SCD (0.61) SCDKMT2AMEN1NPC1RAB9A

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 2 patents. 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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed