SCHEMBL6853754

SCHEMBL6853754

Cc1ccc2c(=O)n(Cc3ccccc3)c3nnc(N4CCCCCC4)n3c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 4/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6855314 0.92 MAPT (0.54) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6850305 0.91 MAPT (0.55) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6856567 0.89 L3MBTL1 (0.55) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6854444 0.87 ALDH1A1 (0.59) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7532984 0.87 MAPT (0.49) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6856070 0.86 L3MBTL1 (0.46) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6850112 0.86 ALDH1A1 (0.60) MAPTL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL6856860 0.84 MAPT (0.40) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL6856865 0.84 MAPT (0.40) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL6855333 0.82 L3MBTL1 (0.55) MAPTLMNAL3MBTL1ALDH1A1KDM4E

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 9 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 claimed
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 claimed
JP-2002543199-A 2002-12-17 JP claimed
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 claimed
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 claimed
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