SCHEMBL17623259

SCHEMBL17623259

COC[C@@H](C)Nc1ncnc(N2CCNCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ HTR2C P28335 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CLK4 Q9HAZ1 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KHK P50053 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL17622705 0.86 KDM1A (0.44) TP53HTR2CMEN1KMT2AKDM4E
SCHEMBL17623034 0.82 TP53 (0.38) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL17622717 0.80 MAPT (0.49) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL17623049 0.76 ACACB (0.36) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL16091163 0.74 TP53 (0.45) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL16091174 0.71 TP53 (0.43) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL16090980 0.70 TP53 (0.42) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL16090970 0.70 TP53 (0.42) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL9045898 0.69 HTR2C (0.53) HTR2CMEN1KMT2AKDM4ECYP1A2
SCHEMBL30040822 0.69 HTR2C (0.53) HTR2CMEN1KMT2AKDM4ECYP1A2

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
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
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