SCHEMBL8083071

SCHEMBL8083071

CCCc1nc(-n2ccnc2)nc(-n2ccnc2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
GRIA1 P42261 3/20 0.39
GRIA2 P42262 3/20 0.39
GRIA3 P42263 3/20 0.39
GRIA4 P48058 3/20 0.39
PDE5A O76074 2/20 0.37
CYP19A1 P11511 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8081075 0.78 TSHR (0.40) MAPTALDH1A1HTTPDE5ACYP19A1
SCHEMBL8083067 0.77 MAPT (0.41) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL7345941 0.69 GRIA1 (0.44) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1693744 0.69 MAPT (0.38) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL7046842 0.65 MAPK1 (0.48) MAPTALDH1A1NPSR1
SCHEMBL6699244 0.65 MAPT (0.38) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL9025866 0.63 LMNA (0.67) MAPTHTTPDE5ACYP19A1KMT2A
SCHEMBL6702558 0.63 PDE5A (0.42) MAPTMITFALDH1A1HTTGRIA1
SCHEMBL8078203 0.63 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL28747262 0.62 NPSR1 (0.35) MAPTMITFALDH1A1HTTGRIA1

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