SCHEMBL9546435

SCHEMBL9546435

CCN(CCCN)c1ccccc1.CCN(CCCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
HTT P42858 2/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MALT1 Q9UDY8 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
SCHEMBL8747512 0.94 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL8399559 0.86 MAPT (0.54) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL5037820 0.81 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL11663104 0.81 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL9100684 0.79 CKS1B (0.52) KMT2AMEN1ALDH1A1USP2TDP1
SCHEMBL19243536 0.79 TDP1 (0.54) KMT2AMEN1ALDH1A1TDP1GAA
SCHEMBL8747614 0.78 MAPT (0.44) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL8747618 0.78 MAPT (0.44) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL4036322 0.77 CKS1B (0.46) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL15613415 0.77 TDP1 (0.58) KMT2AMEN1TDP1HTTGAA

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-1993024517-A2 PEPTIDE SUB-LIBRARY KITS FURKA ARPAD (HU) 1993-12-09 WO disclosed