SCHEMBL6136871

SCHEMBL6136871

CC(=O)Nc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.53
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RARG P13631 6/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NAMPT P43490 1/20 0.45
HTT P42858 1/20 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
SCHEMBL6136884 0.88 RORC (0.66) RORCRARGHPGDHTT
SCHEMBL6137028 0.82 RORC (0.59) RORCRARGHPGDHTT
Hydrochloric Acid SCHEMBL6136775 0.81 RORC (0.57) RORCRAB9ANPC1MAPTRARG
Hydrochloric Acid SCHEMBL6136946 0.81 RORC (0.57) RORCRAB9ANPC1MAPTRARG
SCHEMBL6136897 0.78 RORC (0.54) RORCKDM4ERARGMEN1KMT2A
SCHEMBL6136876 0.78 RORC (0.54) RORCKDM4ERARGMEN1KMT2A
SCHEMBL6136872 0.77 RORC (0.47) RORCRARGHPGDMEN1KMT2A
SCHEMBL6137351 0.76 RORC (0.50) RORCRARGHPGD
SCHEMBL6136923 0.75 MAPK8 (0.55) RORCRARGHPGDMEN1KMT2A
SCHEMBL6137025 0.74 F2RL3 (0.51) RORCRARGHPGDMEN1KMT2A

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