SCHEMBL21376599

SCHEMBL21376599

COc1cc2nc(NC(=O)c3ccc(C)cc3)sc2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.64
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAP3K5 Q99683 1/20 0.60
RXFP1 Q9HBX9 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PDE4B Q07343 1/20 0.56

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
SCHEMBL15478801 0.88 SCD (0.62) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL2686124 0.84 KDM4E (0.75) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL14807738 0.84 SCD (0.74) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4913650 0.84 SCD (0.88) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL13329390 0.83 MAP3K5 (0.83) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL14807016 0.82 SCD (0.77) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL2483241 0.81 SCD (0.84) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL13941605 0.81 SCD (0.55) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4378894 0.80 MET (0.68) SCDKMT2AMEN1NPC1RAB9A
Bromide SCHEMBL2482639 0.80 SCD (0.76) 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