SCHEMBL7879002

SCHEMBL7879002

COC(=O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cn1cnc2c(N(c3ccc(OC)cc3)C(c3ccccc3)c3ccccc3)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.34
MDM2 Q00987 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
OPRD1 P41143 1/20 0.30
HPGD P15428 1/20 0.30
MDM4 O15151 1/20 0.30
TP53 P04637 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
SCHEMBL8150607 0.96 KMT2A (0.36) DOT1LMDM2KMT2AFLT4KDR
SCHEMBL7878997 0.83 DOT1L (0.35) DOT1LMDM2KMT2AFLT4KDR
SCHEMBL7878996 0.79 FLT4 (0.34) FLT4KDRHPGD
SCHEMBL7878987 0.79 KMT2A (0.36) DOT1LMDM2KMT2AFLT4KDR
SCHEMBL7872971 0.78 FLT4 (0.45) KMT2AFLT4KDRHPGDTP53
SCHEMBL13672813 0.78 DOT1L (0.35) DOT1LKMT2A
SCHEMBL29586099 0.76 KMT2A (0.38) DOT1LKMT2AOPRD1
SCHEMBL13672917 0.76 KMT2A (0.38) DOT1LKMT2AOPRD1
SCHEMBL24109140 0.75 HPRT1 (0.42) DOT1LKMT2A
SCHEMBL7872825 0.75 FLT4 (0.47) FLT4KDRHPGDTP53

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed