SCHEMBL2409771

SCHEMBL2409771

CC(C)(C)CN(Cc1c[nH]c(-c2cccnc2F)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
POLB P06746 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
PPARG P37231 1/20 0.32
DHODH Q02127 4/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TACR1 P25103 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CALCRL Q16602 1/20 0.30

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
SCHEMBL2411262 0.85 PLCG1 (0.35) TP53MAPTPOLB
SCHEMBL5008198 0.83 TACR1 (0.38) MAPTFFAR4NAPRTPPARGTACR1
SCHEMBL4430058 0.82 PTGER2 (0.32)
SCHEMBL1156835 0.80 SOAT1 (0.39) LMNA
SCHEMBL1156852 0.80 SOAT1 (0.37)
SCHEMBL1830980 0.79 NAPRT (0.33) FFAR4POLBNAPRTDHODHDYRK1A
SCHEMBL1157178 0.78 LMNA (0.35) PPARGLMNAPKM
SCHEMBL2409767 0.77 HTR2C (0.38) FFAR4GSK3BTACR1
SCHEMBL3645629 0.75 DHODH (0.36) FFAR4NAPRTDHODHGSK3BDYRK1A
SCHEMBL2409764 0.74 DYRK1A (0.36) FFAR4NAPRTPPARGDHODHGSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed