SCHEMBL21376532

SCHEMBL21376532

Cc1ccc2nc(NC(=O)c3ccc(SN4CCCc5ccccc54)cc3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KDM4E B2RXH2 6/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 5/20 0.55
LRRK2 Q5S007 1/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.53
MAP3K5 Q99683 1/20 0.53
AR P10275 1/20 0.52
HPGD P15428 3/20 0.52
RXFP1 Q9HBX9 2/20 0.51
POLB P06746 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
KLK7 P49862 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL21909808 0.86 MAPT (0.58) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376521 0.84 SCD (0.62) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21909790 0.83 MAPT (0.57) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29978060 0.82 MAPT (1.00) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL662501 0.82 MAPT (1.00) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376342 0.81 MAPT (0.70) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376799 0.81 SCD (0.60) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376914 0.79 SMN1; SMN2 (0.64) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21909758 0.76 NPC1 (0.51) MAPTSMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL5713530 0.76 MAP3K5 (0.75) MAPTSMN1; SMN2KDM4EMEN1KMT2A

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