SCHEMBL6853738

SCHEMBL6853738

COC(=O)Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
MAPT P10636 4/20 0.38
MAPK8 P45983 6/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
GAA P10253 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6850033 0.90 TP53 (0.39) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL7026866 0.90 TP53 (0.40) TP53MAPTMAPK8ALDH1A1THRB
SCHEMBL6854442 0.90 MAPK8 (0.49) TP53MAPTMAPK8ALDH1A1HPGD
SCHEMBL6855682 0.89 HDAC6 (0.40) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL6850043 0.89 ALDH1A1 (0.40) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL6854059 0.89 MAPT (0.38) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL6855392 0.88 MAPT (0.38) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL6854048 0.87 PIK3R1 (0.46) TP53MAPTMAPK8ALDH1A1NPSR1
SCHEMBL6854439 0.86 MAPT (0.51) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL6854071 0.86 TP53 (0.41) TP53MAPTTSHRALDH1A1HPGD

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 6 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
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
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US 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