SCHEMBL12499862

SCHEMBL12499862

COC(=O)c1c(Cc2ccc(Cl)cc2)nn(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.45
KMT2A Q03164 6/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 5/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL12498677 0.87 PLA2G2A (0.45) PLA2G2AKMT2ARAB9AMEN1LMNA
SCHEMBL3718927 0.86 ALDH1A1 (0.47) PLA2G2AKMT2AMEN1LMNAALDH1A1
SCHEMBL12499730 0.86 TSHR (0.44) PLA2G2AKMT2ARAB9ALMNAALDH1A1
SCHEMBL12498726 0.85 HSP90AA1 (0.47) PLA2G2AKMT2ARAB9AMEN1LMNA
SCHEMBL12499400 0.85 VDR (0.49) KMT2ARAB9AMEN1LMNAHTT
SCHEMBL12499839 0.84 LMNA (0.43) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL12499851 0.83 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12498769 0.75 GPR52 (0.44) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL12498738 0.73 MAPT (0.47) KMT2ARAB9AMEN1LMNAHTT
SCHEMBL12499698 0.73 MAPT (0.47) KMT2ARAB9ALMNAHTTALDH1A1

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