SCHEMBL14905923

SCHEMBL14905923

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)N(CCNCCCC[C@H](NC(=O)OCc2ccccc2)C(=O)O)C(=O)OCc2ccccc2)C(O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 6/20 0.60
WDR5 P61964 3/20 0.54
KMT2A Q03164 3/20 0.54
RBBP5 Q15291 3/20 0.54
DPY30 Q9C005 3/20 0.54
ASH2L Q9UBL3 3/20 0.54
PLA2G2A P14555 1/20 0.51
AHCY P23526 1/20 0.51
CARM1 Q86X55 2/20 0.51
GNMT Q14749 1/20 0.47
EZH2 Q15910 3/20 0.47
NNMT P40261 2/20 0.47
NSD2 O96028 2/20 0.46
PCMT1 P22061 2/20 0.46
SETD7 Q8WTS6 2/20 0.46
PRMT1 Q99873 2/20 0.46
TRDMT1 O14717 1/20 0.46
PRMT5 O14744 1/20 0.46
RNMT O43148 1/20 0.46
INMT O95050 1/20 0.46

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
SCHEMBL14905981 0.94 DOT1L (0.58) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL14905991 0.80 CARM1 (0.59) DOT1LAHCYCARM1NNMTNSD2
SCHEMBL5184094 0.79 DOT1L (0.76) DOT1LWDR5KMT2ARBBP5DPY30
Formic Acid SCHEMBL5184915 0.78 DOT1L (0.72) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL14905924 0.78 PRMT6 (0.50) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL16154125 0.77 DOT1L (0.59) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL5184990 0.75 AHCY (0.62) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL10887920 0.74 DOT1L (0.62) DOT1LPLA2G2AAHCY
SCHEMBL14905933 0.73 ADORA1 (0.51) DOT1LPLA2G2A
SCHEMBL4727574 0.73 MARS1 (0.61) DOT1LWDR5KMT2ARBBP5DPY30

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
EP-2771343-B1 METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER SLOAN KETTERING INST CANCER (US) 2016-07-13 EP disclosed
WO-2013063417-A1 METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2013-05-02 WO disclosed