SCHEMBL1850856

SCHEMBL1850856

CCOC(=O)c1cccc(-c2ccnc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1.O=C(O)c1cccc(-c2ccnc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 6/20 0.51
SYK P43405 1/20 0.42
NR4A2 P43354 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
SCD O00767 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL1853988 0.97 GPR52 (0.53) GPR52SYKMAPTMEN1KMT2A
SCHEMBL1849738 0.92 GPR52 (0.55) GPR52NR4A2MEN1KMT2AKDM4C
SCHEMBL3210335 0.84 GPR52 (0.58) GPR52SCD
SCHEMBL3209948 0.84 GPR52 (0.48) GPR52SYKMAPTMEN1KMT2A
SCHEMBL1848119 0.83 GPR52 (0.71) GPR52MAPTMEN1KMT2AALDH1A1
SCHEMBL1851359 0.81 GPR52 (0.51) GPR52SYKMAPTMEN1KMT2A
SCHEMBL1848379 0.81 GPR52 (0.69) GPR52MAPTMEN1KMT2ASCD
SCHEMBL1850413 0.80 JMJD6 (0.46) SYKMAPTALDH1A1NPC1RAB9A
SCHEMBL1851123 0.80 GPR52 (0.75) GPR52
SCHEMBL1855959 0.80 JMJD6 (0.47) SYKMAPTALDH1A1NPC1RAB9A

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed