SCHEMBL21376342

SCHEMBL21376342

Cc1ccc2nc(NC(=O)c3ccc([S+]([O-])N4CCCc5ccccc54)cc3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
KDM4E B2RXH2 5/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 4/20 0.54
LRRK2 Q5S007 1/20 0.53
AR P10275 1/20 0.52
MAP3K5 Q99683 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
LMNA P02545 4/20 0.51
BLM P54132 1/20 0.51
PAX8 Q06710 1/20 0.51
HPGD P15428 2/20 0.50
POLB P06746 3/20 0.49
KLK7 P49862 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL21376333 0.90 NPC1 (0.57) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376338 0.85 SCD (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21376339 0.84 MAPT (0.56) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29978060 0.82 MAPT (1.00) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL662501 0.82 MAPT (1.00) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376830 0.82 MAPT (0.71) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376532 0.81 MAPT (0.70) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376351 0.77 LMNA (0.50) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL21376536 0.76 SMN1; SMN2 (0.63) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12199516 0.76 MAP3K5 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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