SCHEMBL6855545

SCHEMBL6855545

CC(=O)Nc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N)n21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
PLK1 P53350 1/20 0.55
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6791736 0.89 TP53 (0.60) TP53PLK1NPC1SMN1; SMN2LMNA
SCHEMBL6856455 0.88 TP53 (0.57) TP53PLK1NPC1SMN1; SMN2LMNA
SCHEMBL6850226 0.84 TP53 (0.55) TP53PLK1NPC1SMN1; SMN2LMNA
SCHEMBL6795111 0.83 NPC1 (0.54) TP53PLK1NPC1SMN1; SMN2LMNA
SCHEMBL6856148 0.81 PLK1 (0.52) TP53PLK1NPC1SMN1; SMN2LMNA
SCHEMBL6855586 0.80 PLK1 (0.50) PLK1NPC1MAPTGAAL3MBTL1
SCHEMBL6797503 0.76 NPC1 (0.54) TP53PLK1NPC1SMN1; SMN2LMNA
SCHEMBL6999174 0.75 MAPT (0.53) TP53PLK1LMNAMAPTNPSR1
SCHEMBL4729244 0.74 NPSR1 (0.76) NPC1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6795645 0.73 NPC1 (0.61) TP53PLK1NPC1SMN1; SMN2LMNA

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-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed