SCHEMBL16064993

SCHEMBL16064993

O=C(I)NCc1[nH]cnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 4/20 0.38
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.35
BTK Q06187 1/20 0.35
FABP4 P15090 1/20 0.34
LMNA P02545 3/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 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
SCHEMBL16136333 0.85 KDM4E (0.44) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL19413334 0.82 POLB (0.43) KDM4EMAPTCYP3A4HPGDLMNA
SCHEMBL4959700 0.74 KDM4E (0.55) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL1566538 0.71 KDM4E (0.55) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL27707292 0.71 KDM4E (0.55) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL27554380 0.71 KDM4E (0.55) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL18381316 0.70 LMNA (0.50) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL1949484 0.69 KDM4E (0.53) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL6503518 0.67 KDM4E (0.55) KDM4EMAPTCYP3A4GAAALDH1A1
SCHEMBL27634016 0.67 KDM4E (0.55) KDM4EMAPTCYP3A4GAAALDH1A1

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-2014144747-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-09-18 WO disclosed