SCHEMBL21909798

SCHEMBL21909798

COc1ccc(NC(=O)c2ccc([S+]([O-])N3CCCc4ccccc43)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
TNF P01375 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
MAOB P27338 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 3/20 0.50
NR4A1 P22736 1/20 0.50
MCL1 Q07820 1/20 0.50
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL21376812 0.90 ALDH1A1 (0.60) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL21376606 0.85 NR2F2 (0.48) RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL21909802 0.81 MEN1 (0.53) MAPTTNFNOD2NOD1RAB9A
SCHEMBL7354099 0.81 ALDH1A1 (0.80) MAPTRAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL21376818 0.79 LMNA (0.43) KMT2ATP53MEN1
SCHEMBL665117 0.79 MAPT (0.75) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL21376929 0.78 MAPT (0.60) MAPTTNFNOD2NOD1RAB9A
SCHEMBL21376338 0.76 SCD (0.61) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21910102 0.76 NR0B1 (0.51) RAB9ANPC1PKM
SCHEMBL21909792 0.75 NAMPT (0.54)

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