SCHEMBL21376494

SCHEMBL21376494

Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5cc(C6CCN(S(=O)(=O)c7ccc(C(=O)Nc8nc9c(C)cccc9s8)cc7)c7ccccc76)ccc54)cc3)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.68
KDM4E B2RXH2 6/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
TP53 P04637 4/20 0.56
RAB9A P51151 2/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 6/20 0.54
POLB P06746 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54
AR P10275 1/20 0.53
RXFP1 Q9HBX9 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
SCHEMBL29978060 0.82 MAPT (1.00) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL662501 0.82 MAPT (1.00) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL665000 0.81 TP53 (0.81) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL665069 0.74 MAPT (0.81) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL18020440 0.73 TP53 (0.67) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL664475 0.73 MAPT (0.81) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL663583 0.72 MAPT (0.82) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30679122 0.70 AR (1.00) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29134727 0.70 AR (1.00) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30926969 0.69 MAPT (0.73) MAPTKDM4ESMN1; SMN2MEN1KMT2A

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