SCHEMBL14905933

SCHEMBL14905933

O=C(N[C@@H](CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.51
DOT1L Q8TEK3 4/20 0.49
P2RY12 Q9H244 2/20 0.49
DNPH1 O43598 1/20 0.48
ADORA3 P0DMS8 5/20 0.48
TP53 P04637 1/20 0.48
SLC29A1 Q99808 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
DNMT1 P26358 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
P2RY2 P41231 1/20 0.47
P2RY1 P47900 1/20 0.47
P2RY6 Q15077 1/20 0.47
PLA2G2A P14555 1/20 0.47

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
SCHEMBL14905929 0.85 PRMT6 (0.58) ADORA1DOT1LP2RY12
SCHEMBL17921731 0.85 PRMT6 (0.58) ADORA1DOT1LP2RY12
SCHEMBL10885264 0.79 ADORA2A (0.52) ADORA3ADORA2AADORA2B
SCHEMBL10887376 0.79 ADORA2A (0.52) ADORA3ADORA2AADORA2B
SCHEMBL313413 0.78 LMNA (0.72) ADORA1ADORA3TP53SLC29A1TDP1
SCHEMBL19485512 0.78 LMNA (0.72) ADORA1ADORA3TP53SLC29A1TDP1
SCHEMBL233209 0.78 LMNA (0.72) ADORA1ADORA3TP53SLC29A1TDP1
SCHEMBL21953578 0.78 LMNA (0.72) ADORA1ADORA3TP53SLC29A1TDP1
SCHEMBL17889837 0.78 LMNA (0.72) ADORA1ADORA3TP53SLC29A1TDP1
SCHEMBL6909853 0.78 LMNA (0.72) ADORA1ADORA3TP53SLC29A1TDP1

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