SCHEMBL16059407

SCHEMBL16059407

CCC(Oc1ccccc1)(c1ccccn1)N(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM2 P08172 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PMP22 Q01453 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL17100482 0.70 SMN1; SMN2 (0.41) BLMCYP2D6CHRM2LMNAALDH1A1
SCHEMBL9459628 0.70 L3MBTL1 (0.43) BLMCYP2D6CHRM2LMNAALDH1A1
SCHEMBL13269728 0.68 L3MBTL1 (0.44) BLMCYP2D6LMNAALDH1A1PMP22
SCHEMBL28996741 0.68 BLM (0.42) BLMCYP2D6CHRM2LMNAALDH1A1
SCHEMBL7828236 0.67 L3MBTL1 (0.47) BLMCYP2D6LMNAALDH1A1KDM4E
Hydrogen Sulfide SCHEMBL30335073 0.67 BLM (0.41) BLMCYP2D6CHRM2LMNAALDH1A1
SCHEMBL25500507 0.66 L3MBTL1 (0.46) BLMCYP2D6CHRM2LMNAALDH1A1
SCHEMBL3743980 0.66 L3MBTL1 (0.46) BLMCYP2D6LMNAALDH1A1PMP22
SCHEMBL11206142 0.66 TSHR (0.39) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4728011 0.64 SMN1; SMN2 (0.50) BLMCYP2D6CHRM2LMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044650-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
EP-2970266-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014144455-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 WO disclosed