SCHEMBL6500007

SCHEMBL6500007

O=C(O)CCCC(=O)Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 1/20 0.46
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
MGLL Q99685 2/20 0.43
FAAH O00519 1/20 0.43
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
P2RY12 Q9H244 1/20 0.41
HTR7 P34969 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 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
SCHEMBL6491894 0.85 KMT2A (0.52) ALDH1A1KDM4ETSHRKMT2AACACB
SCHEMBL6479986 0.85 KMT2A (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AACACB
SCHEMBL6480776 0.83 KMT2A (0.53) ALDH1A1KDM4ETSHRKMT2AACACB
SCHEMBL6481517 0.82 KMT2A (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL18854912 0.81 KMT2A (0.66) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL6492275 0.80 ACACB (0.58) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL6490976 0.80 KMT2A (0.36) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL6480462 0.80 KMT2A (0.45) ALDH1A1KDM4ETSHRKMT2AACACB
SCHEMBL6481434 0.79 LMNA (0.49) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL6479149 0.79 KMT2A (0.49) ALDH1A1KDM4ETSHRKMT2AACACB

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