SCHEMBL12499672

SCHEMBL12499672

Cc1c(C(=O)O)c(Cc2ccc(Cl)c(Cl)c2)nn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.43
MAPT P10636 1/20 0.41
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41
CCR2 P41597 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
P2RX7 Q99572 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
MEN1 O00255 1/20 0.39
SLC26A4 O43511 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB11 O95342 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL12499730 0.86 TSHR (0.44) MAPTFPR2PROKR1PTGDR2P2RX7
SCHEMBL12499400 0.85 VDR (0.49) MAPTMEN1KMT2AHTTPOLB
SCHEMBL12499272 0.83 HCAR2 (0.45) MAPTMEN1SLC26A4KMT2APOLB
SCHEMBL12499865 0.83 CCR2 (0.37) RNASEH1CCR2HAO1MEN1SLC26A4
SCHEMBL12499826 0.83 CCR2 (0.39) RNASEH1CCR2HAO1KDM4AKDM5A
SCHEMBL12499265 0.80 SMN1; SMN2 (0.40) PTGDR2POLBLMNA
SCHEMBL12498729 0.76 SRD5A2 (0.46) PTGDR2GAAPOLBLMNA
SCHEMBL12499850 0.73 SMN1; SMN2 (0.41) FPR2PROKR1
SCHEMBL12499589 0.73 ALOX5 (0.43) MAPTMEN1KMT2AGAAHTT
SCHEMBL12499852 0.73 PTGES (0.43) MAPTKMT2AGAAHTTLMNA

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