SCHEMBL21376321

SCHEMBL21376321

O=C(Nc1cccc(Cl)c1)c1ccc(SN2CCCc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
THRB P10828 1/20 0.46
MAOB P27338 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
SCHEMBL21376800 0.89 RAB9A (0.47) MAPTTP53RAB9ANPC1
SCHEMBL21376793 0.88 MEN1 (0.51) MAPTTP53RAB9A
SCHEMBL21376319 0.87 NAMPT (0.57) MAPTTP53RAB9A
SCHEMBL21376805 0.87 MEN1 (0.49) MAPTTP53RAB9ANPC1
SCHEMBL21376915 0.85 ALDH1A1 (0.62) MAPTTP53RAB9ANPC1KCNK3
SCHEMBL21376315 0.84 TP53 (0.45) MAPTTP53RAB9A
SCHEMBL7357183 0.82 RAB9A (0.65) RAB9A
SCHEMBL21376320 0.82 HTR2C (0.53) MAPTTP53RAB9ANPC1
SCHEMBL21376929 0.80 MAPT (0.60) MAPTTP53RAB9ANPC1THRB
SCHEMBL21909803 0.79 MEN1 (0.46) MAPTTP53RAB9ANPC1

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