SCHEMBL8463100

SCHEMBL8463100

CCC(=O)Oc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
MAPT P10636 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
THRB P10828 1/20 0.65
MAPK9 P45984 1/20 0.65
STAT3 P40763 9/20 0.64
PKM P14618 4/20 0.56
ALDH1A1 P00352 2/20 0.53
ATG4B Q9Y4P1 1/20 0.53
POLB P06746 2/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53

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
SCHEMBL12974237 0.89 NPC1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28419337 0.86 NPC1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL10253103 0.82 NPC1 (0.76) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8463533 0.79 MEN1 (0.78) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12974212 0.79 NPC1 (0.78) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29908278 0.79 NPC1 (0.78) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11149506 0.79 KMT2A (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28573489 0.78 STAT3 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29908288 0.78 STAT3 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1804666 0.77 NPC1 (0.76) MEN1KMT2ANPC1RAB9AMAPT

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
US-5935591-A Method for treatment of equine protozoal myeloencephalitis with thiazolides ROMARK LABORATORIES, L.C. (US) 1999-08-10 US disclosed