SCHEMBL12499705

SCHEMBL12499705

Cn1nc(Cc2cccc(Cl)c2)c(C(=O)O)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
SRC P12931 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
PLA2G1B P04054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL12498747 0.87 AADAT (0.43) RAB9AKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL12499891 0.86 KMT2A (0.51) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL12499378 0.85 MAPT (0.40) RAB9AKMT2AMAPTMEN1ADRA1A
SCHEMBL12499826 0.85 CCR2 (0.39) TRPV1
SCHEMBL12499272 0.83 HCAR2 (0.45) HCAR2RAB9ACSNK2A2CSNK2BKMT2A
SCHEMBL12498775 0.81 HCAR2 (0.42) HCAR2RAB9ACSNK2A2CSNK2BKMT2A
SCHEMBL12499736 0.79 SRD5A2 (0.46) KMT2AMEN1KDM4CLMNA
SCHEMBL12499305 0.75 AADAT (0.43) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12499717 0.73 KDM4E (0.46) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL12498726 0.73 HSP90AA1 (0.47) RAB9AKMT2AMAPTMEN1LMNA

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