SCHEMBL21909802

SCHEMBL21909802

O=C(Nc1ccc(F)cc1)c1ccc([S+]([O-])N2CCc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 3/20 0.53
TNF P01375 2/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
RORC P51449 2/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL21376606 0.82 NR2F2 (0.48) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL21909798 0.81 MAPT (0.58) MEN1KMT2ARAB9ATNFNOD2
SCHEMBL21909792 0.80 NAMPT (0.54) TDP1RORC
SCHEMBL29979265 0.78 MAPT (0.80) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL10187026 0.78 MAPT (0.80) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL21376812 0.77 ALDH1A1 (0.60) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL21376808 0.76 RAB9A (0.54) MEN1KMT2ARAB9ATNFNOD2
SCHEMBL21376333 0.75 NPC1 (0.57) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21910769 0.75 POLB (0.39) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21376818 0.74 LMNA (0.43) MEN1KMT2ATP53LMNA

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