SCHEMBL4565267

SCHEMBL4565267

O=C(O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
RAB9A P51151 3/20 0.63
PKM P14618 2/20 0.63
NPC1 O15118 1/20 0.63
PAX8 Q06710 1/20 0.63
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
POLB P06746 2/20 0.58
BLM P54132 1/20 0.58
CES2 O00748 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 2/20 0.55
GFER P55789 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 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
SCHEMBL4565265 1.00 MAPT (0.63) MAPTRAB9APKMNPC1PAX8
SCHEMBL13709151 0.87 MEN1 (0.72) MAPTRAB9AMEN1KMT2APOLB
SCHEMBL3340347 0.87 KMT2A (0.69) MAPTRAB9APKMNPC1MEN1
SCHEMBL4445674 0.86 MEN1 (0.68) MAPTRAB9APKMNPC1PAX8
SCHEMBL13709154 0.85 ALOX5 (0.53) MAPTRAB9APKMNPC1PAX8
Hydrochloric Acid SCHEMBL2105315 0.85 MEN1 (0.67) MAPTRAB9APKMNPC1PAX8
SCHEMBL16502313 0.84 MAPT (0.59) MAPTRAB9APKMNPC1PAX8
SCHEMBL7122886 0.84 RORC (0.77) MAPTRAB9APKMNPC1PAX8
SCHEMBL13709102 0.83 AKR1B1 (0.69) MAPTLMNAPPARG
SCHEMBL13709106 0.83 MAPT (0.58) MAPTRAB9APKMNPC1PAX8

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
WO-2009112615-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY FUNDACIÓN DE LA COMUNIDAD VALENCIANA, CENTRO DE INVESTIGACIÓN PRINCIPE FELIPE (ES) 2009-09-17 WO disclosed