SCHEMBL12499324

SCHEMBL12499324

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
VDR P11473 1/20 0.40
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
ADRA1B P35368 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
PDE5A O76074 2/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE7A Q13946 2/20 0.36
PDE1C Q14123 2/20 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
SCHEMBL12499865 0.86 CCR2 (0.37) KMT2AMEN1
SCHEMBL12498775 0.85 HCAR2 (0.42) MAPTADRA1AHRH1ADRA1BLMNA
SCHEMBL12499317 0.85 SRD5A2 (0.43) LDHALDHBLMNAKMT2APOLB
SCHEMBL12499698 0.84 MAPT (0.47) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL12499400 0.81 VDR (0.49) MAPTKDM4EVDRADRA1AHRH1
SCHEMBL12499378 0.80 MAPT (0.40) MAPTKDM4EVDRADRA1AHRH1
SCHEMBL12499380 0.76 AADAT (0.41) MAPTKMT2ARAB9ANPC1MEN1
SCHEMBL14937851 0.73 KDM4E (0.34) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12499589 0.72 ALOX5 (0.43) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL12499656 0.71 MAPT (0.43) MAPTKDM4ELMNAKMT2APOLB

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