SCHEMBL8150607

SCHEMBL8150607

COc1ccc(N(c2ncnc3c2ncn3CC(=O)N(CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
DOT1L Q8TEK3 1/20 0.35
MDM2 Q00987 1/20 0.35
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
OPRD1 P41143 1/20 0.32
CASP3 P42574 1/20 0.31
LCK P06239 1/20 0.30
HPGD P15428 1/20 0.30
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
PDE1B Q01064 1/20 0.30
BMP1 P13497 1/20 0.30

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
SCHEMBL7879002 0.96 DOT1L (0.34) KMT2ADOT1LMDM2FLT4KDR
SCHEMBL7878987 0.83 KMT2A (0.36) KMT2ADOT1LMDM2FLT4KDR
SCHEMBL13672917 0.80 KMT2A (0.38) KMT2ADOT1LOPRD1CASP3LCK
SCHEMBL29586099 0.80 KMT2A (0.38) KMT2ADOT1LOPRD1CASP3LCK
SCHEMBL7876796 0.79 KMT2A (0.36) KMT2ADOT1LMDM2OPRD1MDM4
SCHEMBL7878997 0.79 DOT1L (0.35) KMT2ADOT1LMDM2FLT4KDR
SCHEMBL7872825 0.77 FLT4 (0.47) FLT4KDRHPGDTP53
SCHEMBL18788913 0.76 KMT2A (0.43) KMT2ADOT1LOPRD1CASP3LCK
SCHEMBL7872971 0.76 FLT4 (0.45) KMT2AFLT4KDRHPGDTP53
SCHEMBL13672813 0.76 DOT1L (0.35) KMT2ADOT1L

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-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed