SCHEMBL7565624

SCHEMBL7565624

COc1ccc(N(c2cccc(C(=O)O)c2)S(=O)(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MRGPRX4 Q96LA9 2/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEP1A Q16819 2/20 0.44
MEP1B Q16820 2/20 0.44

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
SCHEMBL5928569 0.89 RAB9A (0.49) RAB9AMRGPRX4TP53SMN1; SMN2PKM
SCHEMBL7069246 0.84 KDM4E (0.50) ALDH1A1KMT2AKDM4EHPGDCES2
SCHEMBL7561236 0.82 KEAP1 (0.48) RAB9AMRGPRX4TP53SMN1; SMN2PKM
SCHEMBL5928254 0.80 NPC1 (0.53) RAB9AMRGPRX4AKR1C3ALDH1A1NPC1
SCHEMBL5445836 0.77 RAB9A (0.50) RAB9AMRGPRX4TP53SMN1; SMN2PKM
SCHEMBL5720785 0.75 ALDH1A1 (0.47) AKR1C3ALDH1A1CA1CA2KMT2A
SCHEMBL15953453 0.75 MAPK1 (0.69) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6350785 0.73 RAB9A (0.46) RAB9AMRGPRX4TP53SMN1; SMN2PKM
SCHEMBL5928422 0.73 ALDH1A1 (0.48) MRGPRX4ALDH1A1CA1CA2MEN1
SCHEMBL5928662 0.72 PPARA (0.46) MRGPRX4ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed