SCHEMBL16770544

SCHEMBL16770544

FC(F)(F)c1cc(I)ncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.38
ALDH1A1 P00352 3/20 0.37
PLAU P00749 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.34
IDO1 P14902 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDR P35968 1/20 0.33
COMT P21964 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
GRM4 Q14833 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19837518 0.83 NOTUM (0.38) NOTUMALDH1A1PLAUKDM4EPOLB
SCHEMBL29435663 0.78 PIK3R1 (0.41) NOTUMALDH1A1PIK3CDIDO1HTR3E
SCHEMBL1515470 0.78 PIK3R1 (0.41) NOTUMALDH1A1PIK3CDIDO1HTR3E
SCHEMBL13274209 0.77 COMT (0.40) NOTUMALDH1A1SMN1; SMN2PIK3CDIDO1
SCHEMBL18301718 0.75 COMT (0.39) NOTUMALDH1A1PLAUPIK3CDIDO1
SCHEMBL15019715 0.75 MBOAT4 (0.34) NOTUML3MBTL1
SCHEMBL28063333 0.75 PIK3CD (0.34) ALDH1A1KDM4EPOLBSMN1; SMN2PIK3CD
SCHEMBL4372965 0.75 PIK3CD (0.38) NOTUMALDH1A1PIK3CDIDO1HTR3E
SCHEMBL600673 0.75 PIK3CD (0.49) NOTUMALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL30488644 0.74 ASPH (0.36)

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
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed