SCHEMBL6200946

SCHEMBL6200946

CC(C(=O)Nc1cccc(-c2n[nH]cc2-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
TP53 P04637 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
FAAH O00519 1/20 0.46
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 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
SCHEMBL6085299 0.79 CEPT1 (0.46) TP53MAPTKMT2AMEN1LMNA
SCHEMBL6203549 0.79 SMN1; SMN2 (0.52) PKMTP53POLBMAPTKMT2A
SCHEMBL6085581 0.76 MMP2 (0.52) POLBMAPTKMT2AMEN1LMNA
SCHEMBL6202061 0.75 FAAH (0.58) TP53POLBMAPTKMT2AMEN1
SCHEMBL6201345 0.74 RAB9A (0.60) PKMTP53POLBMAPTGAA
SCHEMBL6203431 0.74 GAA (0.60) PKMTP53POLBMAPTKMT2A
SCHEMBL6203041 0.74 FAAH (0.50) PKMTP53POLBMAPTKMT2A
SCHEMBL6203082 0.74 HSD17B10 (0.56) PKMTP53POLBMAPTKMT2A
SCHEMBL6086892 0.74 USP2 (0.74) PKMTP53POLBMAPTKMT2A
SCHEMBL6086280 0.72 KDM4E (0.45) TP53POLBMAPTKMT2AMEN1

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed