SCHEMBL6856865

SCHEMBL6856865

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
TP53 P04637 3/20 0.40
DHFR P00374 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 5/20 0.37
HTT P42858 3/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ANXA2 P07355 2/20 0.35
S100A10 P60903 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL6856860 1.00 MAPT (0.40) MAPTTP53DHFRKMT2ALMNA
SCHEMBL6854862 0.93 MAPT (0.40) MAPTTP53DHFRKMT2ALMNA
SCHEMBL6854856 0.93 MAPT (0.40) MAPTTP53DHFRKMT2ALMNA
SCHEMBL6850099 0.92 MAPT (0.40) MAPTTP53DHFRKMT2ALMNA
SCHEMBL6850102 0.92 MAPT (0.40) MAPTTP53DHFRKMT2ALMNA
SCHEMBL6854858 0.88 MAPT (0.42) MAPTTP53LMNAHTTGAA
SCHEMBL6854863 0.88 MAPT (0.42) MAPTTP53LMNAHTTGAA
SCHEMBL7536162 0.87 TP53 (0.41) MAPTTP53DHFRKMT2ALMNA
SCHEMBL7536159 0.87 TP53 (0.41) MAPTTP53DHFRKMT2ALMNA
SCHEMBL6853754 0.84 MAPT (0.54) MAPTTP53KMT2ALMNAHTT

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 3 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