SCHEMBL14966925

SCHEMBL14966925

COC(=O)c1ccc(C(C)Oc2ccc(F)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
MAPT P10636 6/20 0.49
NPC1 O15118 6/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
DPP4 P27487 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAP2K4 P45985 1/20 0.41
TNF P01375 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14966961 0.86 LMNA (0.49) RAB9AMAPTLMNAKMT2AMEN1
SCHEMBL14967047 0.86 ALDH1A1 (0.50) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL14966314 0.80 KMT2A (0.53) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL14966465 0.80 KMT2A (0.52) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL15669422 0.77 NPC1 (0.53) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL2586590 0.77 KCNQ3 (0.54) RAB9AMAPTNPC1LMNAKMT2A
SCHEMBL14967228 0.76 TSHR (0.47) RAB9AMAPTLMNAL3MBTL1KDM4E
SCHEMBL14967136 0.76 L3MBTL1 (0.55) RAB9AMAPTNPC1LMNAKMT2A
SCHEMBL9038245 0.74 ADRA2A (0.48) RAB9AMAPTLMNASMN1; SMN2KMT2A
SCHEMBL31475537 0.74 HTT (0.50) RAB9AMAPTLMNASMN1; SMN2KMT2A

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