SCHEMBL5579243

SCHEMBL5579243

CCOC(=O)/C=C/c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.53
DPP4 P27487 1/20 0.53
ERN1 O75460 1/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PKM P14618 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CCR6 P51684 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 2/20 0.52
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ESR1 P03372 1/20 0.49
MAOB P27338 1/20 0.49
ALPL P05186 1/20 0.48

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
SCHEMBL6987302 0.88 KMT2A (0.53) TTRDPP4KMT2AMEN1PKM
SCHEMBL6987299 0.88 KMT2A (0.53) TTRDPP4KMT2AMEN1PKM
SCHEMBL6639628 0.87 CYP1A2 (0.53) TTRDPP4KMT2AMEN1PKM
SCHEMBL20671146 0.87 KMT2A (0.52) TTRDPP4KMT2AMEN1PKM
SCHEMBL6809200 0.87 CYP1A2 (0.53) TTRDPP4KMT2AMEN1PKM
SCHEMBL17980391 0.86 KMT2A (0.51) TTRDPP4KMT2AMEN1PKM
SCHEMBL14508734 0.85 KMT2A (0.53) TTRDPP4KMT2AMEN1PKM
SCHEMBL6980282 0.85 FDPS (0.51) KMT2AMEN1PKMHPGDNPC1
SCHEMBL6980279 0.85 FDPS (0.51) KMT2AMEN1PKMHPGDNPC1
SCHEMBL1013072 0.84 STAT3 (0.53) KMT2AMEN1PKMHPGDNPC1

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed