SCHEMBL21376313

SCHEMBL21376313

CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(SN4CCCc5ccccc54)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
MAPT P10636 10/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.52
TDP1 Q9NUW8 1/20 0.52
NAMPT P43490 1/20 0.52
GAA P10253 5/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.49
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL21376914 0.91 SMN1; SMN2 (0.64) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL21376507 0.91 SMN1; SMN2 (0.62) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL662004 0.84 KMT2A (0.76) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL21376786 0.83 ADORA3 (0.59) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21910763 0.80 CFTR (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL21376793 0.79 MEN1 (0.51) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16607135 0.78 ALDH1A1 (0.76) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL21376589 0.77 AVPR1A (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL16607202 0.77 ALDH1A1 (0.66) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16607184 0.77 ALDH1A1 (0.76) MEN1KMT2AMAPTSMN1; SMN2LMNA

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