SCHEMBL8081173

SCHEMBL8081173

CCCCc1nc(Cl)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GSR P00390 1/20 0.33
TXNRD1 Q16881 1/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HASPIN Q8TF76 1/20 0.30

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
SCHEMBL8080512 0.90 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPT
SCHEMBL30760538 0.83 MAPT (0.34) ALDH1A1MAPT
SCHEMBL7348216 0.83 MAPT (0.34) ALDH1A1MAPT
SCHEMBL11679118 0.78 PDE4A (0.38) ALDH1A1SMN1; SMN2GSRTXNRD1LMNA
SCHEMBL15218851 0.75 POLB (0.36) MAPT
SCHEMBL628550 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL29724281 0.74 POLB (0.35) ALDH1A1SMN1; SMN2TXNRD1MAPTMEN1
SCHEMBL14140107 0.73 MAPT (0.31) MAPT
SCHEMBL15218862 0.72
SCHEMBL11678721 0.70 ALDH1A1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2GSRTXNRD1

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 5 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
EP-0429149-A1 Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. (US) 1991-05-29 EP disclosed