SCHEMBL11765604

SCHEMBL11765604

O=C(Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1)c1cccc([N+](=O)[O-])c1.[Na].[Na]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ ENPP2 Q13822 1/20 0.57
▸ 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
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ P2RY2 P41231 1/20 0.51
▸ GPR17 Q13304 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
SCHEMBL10908133 0.91 MEN1 (0.64) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11434100 0.89 KMT2A (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11765597 0.88 KMT2A (0.62) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11510760 0.86 RAB9A (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11500868 0.85 KMT2A (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11430148 0.85 KMT2A (0.58) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11423959 0.85 KMT2A (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11468420 0.84 MEN1 (0.55) KMT2AMEN1NPC1RAB9AENPP2
SCHEMBL11598419 0.84 ENPP2 (0.52) KMT2AMEN1NPC1RAB9AENPP2
SCHEMBL14601340 0.83 TIMP3 (0.64) KMT2AMEN1ENPP2MAPTPOLB

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-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 — — US disclosed
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