SCHEMBL6503295

SCHEMBL6503295

CN(C)P(=O)(Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc34)CC2)c1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MGLL Q99685 2/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.43
P2RY12 Q9H244 1/20 0.42
THRB P10828 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL6481434 0.88 LMNA (0.49) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL6479149 0.88 KMT2A (0.49) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL6479667 0.87 KMT2A (0.48) ACACBACACAKMT2ALMNAALDH1A1
Dimethylamine SCHEMBL6533378 0.86 KMT2A (0.48) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL18854912 0.84 KMT2A (0.66) KMT2ALMNAALDH1A1KDM4EGAA
SCHEMBL6480776 0.82 KMT2A (0.53) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL6491894 0.82 KMT2A (0.52) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL6491981 0.81 KMT2A (0.51) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL6481517 0.81 KMT2A (0.53) ACACBACACAKMT2ALMNAALDH1A1
SCHEMBL6492275 0.79 ACACB (0.58) ACACBACACAKMT2ALMNAALDH1A1

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-2005007643-A1 NOVEL ACRIDINE DERIVATIVES AND USE THEREOF AS MEDICAMENTS ZENTARIS GMBH (DE) 2005-01-27 WO disclosed