SCHEMBL11423959

SCHEMBL11423959

O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
CASP6 P55212 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
PRMT1 Q99873 1/20 0.58
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
THRA P10827 1/20 0.54
SETD7 Q8WTS6 1/20 0.53
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
CASP3 P42574 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL11431617 0.95 KMT2A (0.58) KMT2AMEN1NPC1RAB9ACASP6
SCHEMBL10908133 0.93 MEN1 (0.64) KMT2AMEN1NPC1RAB9ACASP6
SCHEMBL11431595 0.88 CASP6 (0.71) KMT2AMEN1NPC1RAB9ACASP6
SCHEMBL11426033 0.87 KMT2A (0.58) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11766331 0.86 RAB9A (0.55) KMT2AMEN1NPC1RAB9ACTDSP1
SCHEMBL11765604 0.85 KMT2A (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11138083 0.85 RAB9A (0.55) KMT2AMEN1NPC1RAB9ACTDSP1
SCHEMBL11421997 0.84 RAB9A (0.59) KMT2AMEN1NPC1RAB9ACTDSP1
SCHEMBL11422759 0.83 PRMT1 (0.76) KMT2AMEN1CASP6CTDSP1PRMT1
SCHEMBL10909338 0.83 CASP6 (0.67) KMT2AMEN1CASP6CTDSP1PRMT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4163675-A CONTAINING NAPHTHALENE DERIVATIVES PILOT INK CO., LTD. (JP) 1979-08-07 US disclosed