SCHEMBL14905928

SCHEMBL14905928

COC(=O)[C@H](CC[C@@H](C[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)C1OC(C)=O)N(CCNCc1ccccc1)C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.51
ACHE P22303 3/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
DOT1L Q8TEK3 4/20 0.38
ADORA3 P0DMS8 1/20 0.37
P2RY12 Q9H244 3/20 0.36
ADORA1 P30542 1/20 0.36
CARM1 Q86X55 2/20 0.36
DNPH1 O43598 1/20 0.35

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
SCHEMBL14905924 0.95 PRMT6 (0.50) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL14905929 0.87 PRMT6 (0.58) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL17921731 0.87 PRMT6 (0.58) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL14905992 0.86 PRMT6 (0.52) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL16156829 0.84 PRMT6 (0.51) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL16156840 0.82 PRMT6 (0.51) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL14905966 0.82 PRMT6 (0.51) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL16154103 0.79 PRMT6 (0.62) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL14905960 0.79 PRMT6 (0.51) PRMT6ACHEPRKAB2PRKAG1PRKAA2
SCHEMBL16156879 0.79 PRMT6 (0.51) PRMT6ACHEPRKAB2PRKAG1PRKAA2

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