SCHEMBL6853958

SCHEMBL6853958

Cc1ccc2c(c1)c(=O)n(CC=Cc1cccnc1)c1nnc(N3CCSCC3)n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
PSD A5PKW4 1/20 0.33
TP53 P04637 2/20 0.32
PLK1 P53350 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAD1 O60671 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CFTR P13569 1/20 0.32
APEX1 P27695 1/20 0.32
CASP6 P55212 1/20 0.32
RAD51 Q06609 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
GOPC Q9HD26 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PADI4 Q9UM07 2/20 0.31

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
SCHEMBL6853953 1.00 MAPT (0.35) MAPTPSDTP53PLK1SIGMAR1
SCHEMBL6850186 0.90 KMT2A (0.33) MAPTPLK1SIGMAR1KMT2AKDM4E
SCHEMBL6996082 0.90 KMT2A (0.33) MAPTPLK1SIGMAR1KMT2AKDM4E
SCHEMBL6850099 0.83 MAPT (0.40) MAPTTP53PLK1LMNAKMT2A
SCHEMBL6850102 0.83 MAPT (0.40) MAPTTP53PLK1LMNAKMT2A
SCHEMBL6850052 0.82 DPP4 (0.33) MAPTTP53PLK1SIGMAR1LMNA
SCHEMBL6850045 0.82 DPP4 (0.33) MAPTTP53PLK1SIGMAR1LMNA
SCHEMBL6854475 0.82 KMT2A (0.34) MAPTPLK1SIGMAR1KMT2AKDM4E
SCHEMBL6854470 0.82 KMT2A (0.34) MAPTPLK1SIGMAR1KMT2AKDM4E
SCHEMBL6854856 0.82 MAPT (0.40) MAPTTP53PLK1LMNAKMT2A

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 5 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
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