SCHEMBL6855682

SCHEMBL6855682

O=C(Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1)NO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.40
PLK1 P53350 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
UBE2N P61088 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G2A P14555 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 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 0.94 TP53 (0.39) HDAC6PLK1HDAC1HDAC8RXFP1
SCHEMBL6854059 0.91 MAPT (0.38) HDAC6PLK1HDAC1HDAC8RXFP1
SCHEMBL6850043 0.91 ALDH1A1 (0.40) HDAC6PLK1HDAC1HDAC8RXFP1
SCHEMBL6853738 0.89 TP53 (0.38) HDAC6HDAC1RXFP1TP53MAPT
SCHEMBL6854071 0.88 TP53 (0.41) HDAC6PLK1HDAC1HDAC8TP53
SCHEMBL6855392 0.88 MAPT (0.38) HDAC6HDAC1RXFP1TP53MAPT
SCHEMBL6850222 0.87 MAPT (0.44) PLK1RXFP1TP53MAPTALDH1A1
SCHEMBL6854439 0.86 MAPT (0.51) PLK1TP53MAPTALDH1A1TSHR
SCHEMBL6850131 0.86 LMNA (0.43) PLK1RXFP1TP53MAPTALDH1A1
SCHEMBL6855405 0.86 ALDH1A1 (0.48) PLK1TP53MAPTALDH1A1KMT2A

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 7 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
WO-2002022112-A9 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING A DISEASE ASSOCIATED WITH AN EXCESS OF IL-12 PRODUCTION WARNER LAMBERT CO (US) 2002-06-06 WO 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