SCHEMBL6856874

SCHEMBL6856874

Cn1c(=O)c2cc(Cl)ccc2n2c(N3CCc4ccccc4C3)nnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA1 P30542 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
EGFR P00533 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7462390 0.88 NR3C1 (0.41) MAPTALDH1A1TP53THRBHDAC6
SCHEMBL6855739 0.85 TP53 (0.46) MAPTTP53THRBHRH4MAT2A
SCHEMBL6855846 0.82 MAPT (0.46) MAPTALDH1A1TP53THRBTSHR
SCHEMBL6850076 0.82 MAPT (0.46) MAPTALDH1A1TP53THRBTSHR
SCHEMBL6854165 0.82 MAPT (0.46) MAPTALDH1A1TP53THRBTSHR
SCHEMBL6855784 0.82 MAPT (0.46) MAPTALDH1A1TP53THRBTSHR
SCHEMBL6856134 0.80 MAPT (0.42) MAPTALDH1A1TP53THRBTSHR
SCHEMBL6854055 0.80 TP53 (0.44) MAPTTP53THRBMAPK1HTT
SCHEMBL6855818 0.77 NR3C1 (0.47) MAPTALDH1A1TP53THRBHDAC6
SCHEMBL6854873 0.75 MAPT (0.46) MAPTALDH1A1TP53THRBTSHR

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 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
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