SCHEMBL11238504

SCHEMBL11238504

NNc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
STK39 Q9UEW8 1/20 0.47
FFAR1 O14842 3/20 0.45
EGFR P00533 4/20 0.45
ERBB2 P04626 4/20 0.45
ERBB3 P21860 2/20 0.45
ERBB4 Q15303 2/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL10519119 0.88 STK39 (0.48) MRGPRX4MAPTNPSR1L3MBTL1STK39
SCHEMBL10538095 0.85 NPSR1 (0.57) MRGPRX4MAPTNPSR1L3MBTL1STK39
SCHEMBL8813323 0.85 MRGPRX4 (0.61) MRGPRX4MAPTNPSR1L3MBTL1STK39
SCHEMBL30490048 0.85 FFAR1 (0.54) MRGPRX4MAPTL3MBTL1STK39FFAR1
SCHEMBL11648951 0.81 FFAR1 (0.50) MRGPRX4MAPTNPSR1L3MBTL1STK39
SCHEMBL9132379 0.80 FFAR1 (0.49) MRGPRX4MAPTNPSR1L3MBTL1STK39
SCHEMBL9003844 0.79 FFAR1 (0.60) MRGPRX4MAPTNPSR1L3MBTL1FFAR1
SCHEMBL11099693 0.79 STK39 (0.54) MRGPRX4NPSR1STK39EGFRERBB2
SCHEMBL14018271 0.79 FFAR1 (0.48) MRGPRX4MAPTNPSR1L3MBTL1STK39
SCHEMBL7597428 0.79 L3MBTL1 (0.51) MRGPRX4MAPTNPSR1L3MBTL1STK39

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
JP-57024347-A None JP disclosed
JP-S5724347-A HYDRAZINODIPHENYL ETHER TYPE COMPOUND AND ITS PREPARATION MITSUI TOATSU CHEM INC 1982-02-08 JP disclosed