SCHEMBL8083067

SCHEMBL8083067

CC(C)c1nc(-n2ccnc2)nc(-n2ccnc2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
GRIA1 P42261 5/20 0.40
GRIA2 P42262 5/20 0.40
GRIA3 P42263 5/20 0.40
GRIA4 P48058 5/20 0.40
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 4/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE5A O76074 2/20 0.38
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8081073 0.79 TSHR (0.43) MAPTALDH1A1HTTMEN1USP2
SCHEMBL8083071 0.77 MAPT (0.40) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL1693744 0.70 MAPT (0.38) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL20564985 0.68 NPSR1 (0.40) MAPTALDH1A1HTTMEN1USP2
SCHEMBL9025866 0.65 LMNA (0.67) MAPTHTTMEN1USP2LMNA
SCHEMBL1840378 0.65 ALDH1A1 (0.51) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL3998281 0.63 CYP1A2 (0.55) MAPTALDH1A1GRIA1GRIA2GRIA3
SCHEMBL16057276 0.62 CYP3A4 (0.46) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL9555764 0.62 GRIA1 (0.50) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL12878893 0.62 GRIA1 (0.46) MAPTALDH1A1HTTGRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025489-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0429149-B1 Tricyclic pteridinones and a process for their preparation BERLEX LAB (US) 2000-01-05 EP disclosed
US-5854419-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5602252-A Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. 1997-02-11 US disclosed