SCHEMBL1850776

SCHEMBL1850776

COC(=O)c1ccnc(-c2cccc3c(C)c(Cc4cccc(C(F)(F)F)c4)sc23)c1.Cc1c(Cc2cccc(C(F)(F)F)c2)sc2c(-c3cc(C(=O)O)ccn3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.46
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
NR4A2 P43354 2/20 0.41
ROCK1 Q13464 1/20 0.41
SCD O00767 3/20 0.40
GPR52 Q9Y2T5 6/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
KDM5B Q9UGL1 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3209831 0.97 ROCK1 (0.43) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL1849782 0.96 KDM4C (0.43) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL1856110 0.94 KDM4C (0.51) KDM4CNR4A2ROCK1SCDGPR52
SCHEMBL1853064 0.91 KDM4C (0.48) KDM4CNR4A2ROCK1GPR52MRGPRX4
SCHEMBL3217369 0.87 GPR52 (0.50) KDM4CROCK1GPR52
SCHEMBL1856629 0.84 GPR52 (0.56) GPR52
SCHEMBL1851239 0.84 GPR52 (0.57) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL1850602 0.82 GPR52 (0.49) NR4A2GPR52MRGPRX4LIPGPTGER4
SCHEMBL1852205 0.82 GPR52 (0.47) KDM4ENR4A2GPR52MRGPRX4LMNA
SCHEMBL3210823 0.80 GPR52 (0.61) SCDGPR52MRGPRX4

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