SCHEMBL21086643

SCHEMBL21086643

N#Cc1ccc(COI)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
CYP19A1 P11511 2/20 0.37
RORC P51449 1/20 0.37
MAPK14 Q16539 1/20 0.36
EGLN2 Q96KS0 3/20 0.35
CTSB P07858 1/20 0.35
PRMT5 O14744 1/20 0.35
EGFR P00533 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGER1 P34995 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL1715728 0.82 IDO1 (0.59) FFAR1FFAR4IDO1AGXTNR3C1
SCHEMBL3641589 0.82 NR3C1 (0.43) FFAR1FFAR4IDO1AGXTNR3C1
SCHEMBL29506809 0.82 NR3C1 (0.43) FFAR1FFAR4IDO1AGXTNR3C1
Hydrochloric Acid SCHEMBL1715723 0.81 IDO1 (0.61) FFAR1FFAR4IDO1AGXTNR3C1
SCHEMBL14625917 0.79 FFAR1 (0.42) FFAR1FFAR4NR3C1PGRNR3C2
SCHEMBL15018170 0.79 FFAR1 (0.45) FFAR1FFAR4NR3C1PGRNR3C2
SCHEMBL29924288 0.79 FFAR1 (0.45) FFAR1FFAR4NR3C1PGRNR3C2
SCHEMBL25404947 0.79 RORC (0.38) FFAR1FFAR4IDO1AGXTNR3C1
SCHEMBL23286837 0.79 FFAR1 (0.40) FFAR1FFAR4IDO1AGXTNR3C1
SCHEMBL19745238 0.78 MAOB (0.51) FFAR1FFAR4CYP19A1CTSBPRMT5

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
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed