SCHEMBL12499378

SCHEMBL12499378

Cn1nc(Cc2ccc(Cl)cc2)c(C(=O)O)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
VDR P11473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ADRA1A P35348 3/20 0.37
HRH1 P35367 3/20 0.37
ADRA1B P35368 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 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
SCHEMBL12499736 0.88 SRD5A2 (0.46) KMT2AMEN1LMNAPOLB
SCHEMBL12499826 0.86 CCR2 (0.39)
SCHEMBL12499705 0.85 HCAR2 (0.42) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL12498738 0.84 MAPT (0.47) MAPTKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL12499400 0.81 VDR (0.49) MAPTVDRKDM4EKMT2AMEN1
SCHEMBL12499324 0.80 MAPT (0.40) MAPTVDRKDM4EKMT2AMEN1
SCHEMBL12498747 0.79 AADAT (0.43) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL2087514 0.76 PKM (0.34) MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL12498729 0.75 SRD5A2 (0.46) LMNAPOLB
SCHEMBL12499879 0.73 MAPT (0.46) MAPTKDM4EKMT2AMEN1SMN1; SMN2

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-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed