SCHEMBL11430148

SCHEMBL11430148

O=C(Nc1cc(S(=O)(=O)O)c2cc(O)ccc2c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ MAPT P10636 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ THRA P10827 1/20 0.51
▸ TYMS P04818 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SETD7 Q8WTS6 1/20 0.47
▸ ABCC9 O60706 1/20 0.47
▸ ABCC8 Q09428 1/20 0.47
▸ KCNJ11 Q14654 1/20 0.47
▸ KCNJ8 Q15842 1/20 0.47

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
SCHEMBL11425189 0.88 CD40 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11434100 0.87 KMT2A (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11765604 0.85 KMT2A (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11431303 0.84 RAB9A (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11426033 0.83 KMT2A (0.58) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11500868 0.83 KMT2A (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11341898 0.82 TRPV1 (0.52) KMT2AMEN1MAPTALDH1A1TRPV1
SCHEMBL11433027 0.82 KAT6A (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10909078 0.82 MEN1 (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL11423038 0.81 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMAPT

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
Send feedback