SCHEMBL6136872

SCHEMBL6136872

CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.47
RARG P13631 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.44
MAPK8 P45983 2/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SCN9A Q15858 1/20 0.42
DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL6136923 0.89 MAPK8 (0.55) RORCRARGMEN1KMT2ANPSR1
SCHEMBL6136884 0.82 RORC (0.66) RORCRARGHPGD
SCHEMBL6363756 0.79 DGAT2 (0.41) RORCRARGMEN1KMT2ANPSR1
SCHEMBL6137028 0.77 RORC (0.59) RORCRARGHPGDSCN9A
SCHEMBL6136871 0.77 RORC (0.53) RORCRARGMEN1KMT2AHPGD
SCHEMBL6139715 0.76 MEN1 (0.43) MEN1KMT2ANPSR1L3MBTL1HPGD
Hydrochloric Acid SCHEMBL6136775 0.76 RORC (0.57) RORCRARGHPGD
Hydrochloric Acid SCHEMBL6136946 0.76 RORC (0.57) RORCRARGHPGD
SCHEMBL6136897 0.73 RORC (0.54) RORCRARGMEN1KMT2A
SCHEMBL6136876 0.73 RORC (0.54) RORCRARGMEN1KMT2A

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
EP-1140856-B1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2005-04-27 EP disclosed