SCHEMBL8607458

SCHEMBL8607458

CC(=O)COc1nc(NC(=O)c2ccccc2)c([N+](=O)[O-])s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NSD2 O96028 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL8460636 0.85 KMT2A (0.42) HTTKMT2AMAPTMEN1USP2
SCHEMBL8458962 0.82 KMT2A (0.45) HTTKMT2AMAPTMEN1USP2
SCHEMBL8460350 0.77 MEN1 (0.48) HTTKMT2AMAPTMEN1USP2
SCHEMBL5136133 0.70 SMN1; SMN2 (0.50) HTTKMT2AMAPTMEN1NPC1
SCHEMBL30142666 0.69 NPC1 (0.66) KMT2AMAPTMEN1USP2CYP2C9
SCHEMBL17732650 0.66 ADORA3 (0.53) HTTKMT2AMAPTMEN1USP2
SCHEMBL5797626 0.64 RAB9A (0.56) HTTKMT2AMAPTMEN1L3MBTL1
SCHEMBL11831465 0.64 MEN1 (0.64) HTTKMT2AMAPTMEN1CYP2C9
SCHEMBL1804666 0.63 NPC1 (0.76) HTTKMT2AMAPTMEN1NSD2
SCHEMBL17732536 0.62 POLB (0.56) HTTKMT2AMAPTMEN1NPC1

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 claimed