SCHEMBL8799709

SCHEMBL8799709

[CH2]COCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
PDE4D Q08499 1/20 0.33
PDE4B Q07343 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PPP1CA P62136 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM5 P41594 3/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HTR6 P50406 2/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL7084596 0.90 IDO1 (0.33) IDO1TDP1PDE4DPDE4BKMT2A
SCHEMBL6967360 0.86 IDO1 (0.36) IDO1TDP1PDE4DPDE4BKMT2A
SCHEMBL7079909 0.86 IDO1 (0.36) IDO1TDP1PDE4DPDE4BKMT2A
SCHEMBL7081541 0.86 IDO1 (0.35) IDO1TDP1KMT2APOLBMEN1
SCHEMBL6973001 0.86 P2RX3 (0.33) IDO1TDP1KMT2AL3MBTL1TP53
SCHEMBL6960281 0.85 PIM1 (0.36) IDO1TDP1KMT2APOLBL3MBTL1
SCHEMBL6968857 0.85 PIM1 (0.33) IDO1TDP1KMT2AGRM5L3MBTL1
SCHEMBL6974703 0.85 TDP1 (0.41) TDP1KMT2AMAPTALDH1A1POLB
SCHEMBL6972144 0.84 IDO1 (0.35) IDO1TDP1PDE4DPDE4BKMT2A
SCHEMBL6974232 0.84 IDO1 (0.35) IDO1TDP1PDE4DPDE4BKMT2A

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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed