SCHEMBL7536159

SCHEMBL7536159

Cc1ccc2c(c1)c(=O)n(C/C=C/c1ccccc1)c1nnc(N3CCCC3)n21.Nc1ccc2c(c1)c(=O)n(C/C=C/c1ccccc1)c1nnc(N3CCCC3)n21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.41
MAPT P10636 7/20 0.38
DHFR P00374 3/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 4/20 0.36
POLB P06746 1/20 0.36
PLK1 P53350 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 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
SCHEMBL7536162 1.00 TP53 (0.41) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6850102 0.95 MAPT (0.40) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6850099 0.95 MAPT (0.40) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6855354 0.95 DHFR (0.40) TP53MAPTDHFRLMNAPOLB
SCHEMBL6855359 0.95 DHFR (0.40) TP53MAPTDHFRLMNAPOLB
SCHEMBL6854862 0.94 MAPT (0.40) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6854856 0.94 MAPT (0.40) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6856860 0.87 MAPT (0.40) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6856865 0.87 MAPT (0.40) TP53MAPTDHFRKMT2ALMNA
SCHEMBL6850045 0.85 DPP4 (0.33) TP53MAPTDHFRKMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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