SCHEMBL14966872

SCHEMBL14966872

O=C(O)c1ccc(CCOc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
PKM P14618 1/20 0.53
TBXAS1 P24557 3/20 0.50
NR4A2 P43354 2/20 0.50
FFAR1 O14842 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
PLA2G4B P0C869 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
GCK P35557 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7405035 0.86 PLA2G4B (0.58) LTA4HCYP4F2CYP4A11PKMTBXAS1
SCHEMBL5390756 0.85 PKM (0.73) PKMNR4A2FFAR1PLA2G4BMEN1
SCHEMBL14966638 0.83 MAPT (0.61) LTA4HCYP4F2CYP4A11MEN1LMNA
SCHEMBL14967365 0.82 NR4A2 (0.73) CYP4F2CYP4A11PKMNR4A2FFAR1
SCHEMBL4327125 0.81 PKM (0.73) PKMNR4A2FFAR1PLA2G4BMEN1
SCHEMBL9042414 0.81 LTA4H (0.57) LTA4HFFAR1LMNAKMT2ASMN1; SMN2
SCHEMBL6769826 0.81 NAPRT (0.64) TBXAS1NAPRTMEN1KMT2ATP53
SCHEMBL4374627 0.81 NR4A2 (0.71) PKMNR4A2FFAR1PLA2G4BMAPK1
SCHEMBL14967104 0.81 PKM (0.57) PKMNR4A2FFAR1PLA2G4BMAPK1
SCHEMBL14966199 0.80 CYP4F2 (0.45) LTA4HCYP4F2CYP4A11PKMTBXAS1

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-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed