SCHEMBL6136897

SCHEMBL6136897

O=C(O)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.54
TDP1 Q9NUW8 1/20 0.49
PTPN11 Q06124 2/20 0.48
RARG P13631 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL6136876 1.00 RORC (0.54) RORCTDP1PTPN11RARGMEN1
SCHEMBL6136884 0.89 RORC (0.66) RORCRARG
SCHEMBL6137102 0.87 PTPN11 (0.54) RORCTDP1PTPN11RARGKDM4E
SCHEMBL14290280 0.84 RAB9A (0.53) PTPN11MEN1KMT2APOLB
SCHEMBL6137028 0.83 RORC (0.59) RORCRARG
SCHEMBL6137111 0.82 PTPN11 (0.50) TDP1PTPN11RARG
Hydrochloric Acid SCHEMBL6136775 0.82 RORC (0.57) RORCRARG
Hydrochloric Acid SCHEMBL6136946 0.82 RORC (0.57) RORCRARG
SCHEMBL6136871 0.78 RORC (0.53) RORCRARGMEN1KMT2AKDM4E
SCHEMBL6137351 0.77 RORC (0.50) RORCRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140856-B1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2005-04-27 EP disclosed
EP-1140856-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037448-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2000-06-29 WO disclosed