SCHEMBL15544341

SCHEMBL15544341

O=COCc1cc(Cl)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.37
HTR2C P28335 5/20 0.36
SLC6A4 P31645 5/20 0.36
HTR2A P28223 4/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SRC P12931 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ATM Q13315 1/20 0.35
PTGER1 P34995 2/20 0.35
IDO1 P14902 4/20 0.35

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
SCHEMBL12764490 0.87 MAPK14 (0.41) HTR2APTGER1IDO1
SCHEMBL11308859 0.83 IDO1 (0.40) MEN1KMT2ASLC6A4HTR2ASRC
SCHEMBL15544922 0.83 MMP2 (0.42) MEN1KMT2AHTR2CSLC6A4HTR2A
SCHEMBL12133275 0.80 MRGPRX4 (0.43) MRGPRX4SLC6A4HTR2ASRCIDO1
SCHEMBL10108789 0.80 NOS3 (0.36) FFAR4MEN1KMT2ASRCIDO1
SCHEMBL19268067 0.80 ALDH1A1 (0.44) MEN1KMT2ASRCIDO1LMNA
SCHEMBL47975 0.79 IDO1 (0.58) FFAR4MRGPRX4IDO1MAPK1TDP1
SCHEMBL19268066 0.77 CYP4F2 (0.44) FFAR4MRGPRX4SRCIDO1MAPT
SCHEMBL29292701 0.76 IDO1 (0.38) FFAR4MEN1KMT2ASRCIDO1
SCHEMBL16724088 0.76 PYCR1 (0.40) SRCIDO1LMNAKDM4EMAPK1

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-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 WO disclosed