SCHEMBL13769182

SCHEMBL13769182

Cc1cc(Nc2ccc(O)cc2)n2ncnc2n1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ ALDH1A1 P00352 3/20 0.72
▸ MAPK1 P28482 3/20 0.70
▸ HIF1A Q16665 1/20 0.68
▸ ALOX15 P16050 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ KDM1A O60341 1/20 0.65

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
SCHEMBL4104295 0.89 MEN1 (1.00) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL13730228 0.86 MEN1 (0.80) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL4105140 0.86 MEN1 (0.80) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL4107398 0.86 MEN1 (0.80) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL4090635 0.86 MEN1 (0.80) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL18118625 0.86 MEN1 (0.79) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL14132372 0.84 MEN1 (0.76) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL13730214 0.84 MEN1 (0.76) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL13730868 0.84 MEN1 (0.76) MEN1KMT2AALDH1A1MAPK1HIF1A
SCHEMBL4106565 0.84 MAPK1 (0.79) MEN1KMT2AALDH1A1MAPK1HIF1A

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
WO-2009082691-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS WITH SELECTIVE ANTI-MALARIAL ACTIVITY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2009-07-02 — — WO disclosed
Send feedback