SCHEMBL16655117

SCHEMBL16655117

COc1cc(OC)c(F)c(C(=O)OCl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ERN1 O75460 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1822622 0.86 GAA (0.48) SMN1; SMN2USP2CYP3A4MAPK1HTT
SCHEMBL4404488 0.81 KDM4E (0.47) SMN1; SMN2USP2CYP3A4MAPK1HTT
SCHEMBL4409280 0.78 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2USP2CYP3A4MAPK1
SCHEMBL9223895 0.70 KDM4E (0.47) SMN1; SMN2CYP3A4HTTNPC1RAB9A
SCHEMBL15725747 0.69 KDM4E (0.47) SMN1; SMN2USP2HTTMAPTNPSR1
SCHEMBL3970999 0.69 GAA (0.50) SMN1; SMN2USP2CYP3A4MAPK1HTT
SCHEMBL16069727 0.69 SOS1 (0.48) KMT2ACYP3A4HTTNPC1RAB9A
SCHEMBL205044 0.68 KDM4E (0.50) SMN1; SMN2USP2CYP3A4MAPK1HTT
SCHEMBL20397117 0.68 KDM4E (0.46) SMN1; SMN2USP2MAPTPOLBKDM4E
SCHEMBL1559038 0.68 KDM4E (0.50) CYP3A4HTTMAPTPOLBKDM4E

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed