SCHEMBL13340971

SCHEMBL13340971

CCn1cc(C(=O)C(C)(C)C(C)C)c(=O)c2ccc(C)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
LMNA P02545 3/20 0.68
ABCC4 O15439 1/20 0.68
PKM P14618 1/20 0.68
PTGS1 P23219 1/20 0.68
CYP1A2 P05177 2/20 0.65
HSD17B10 Q99714 2/20 0.65
KDM4E B2RXH2 2/20 0.65
NFKB1 P19838 1/20 0.65
BLM P54132 1/20 0.65
ALDH1A1 P00352 8/20 0.57
TSHR P16473 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 3/20 0.56
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL13610849 0.88 KMT2A (0.74) KMT2AMEN1LMNAABCC4PKM
SCHEMBL13367532 0.86 KMT2A (0.71) KMT2AMEN1LMNAABCC4PKM
SCHEMBL12248454 0.81 KMT2A (0.80) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL29367723 0.81 KMT2A (1.00) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL21736 0.81 KMT2A (1.00) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL7878858 0.81 KMT2A (1.00) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL4766415 0.80 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM
SCHEMBL13623579 0.80 KMT2A (0.78) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL950987 0.80 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL9743582 0.80 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM

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
US-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed