SCHEMBL8800746

SCHEMBL8800746

CC(=O)OC(C)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 1/20 0.32
RHEB Q15382 1/20 0.32
P2RX3 P56373 5/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 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
SCHEMBL8801551 0.92 TDP1 (0.36) KCNH2TDP1KMT2AP2RX3KDM4E
SCHEMBL5064955 0.91 PIM1 (0.33) KCNH2TDP1MEN1KMT2ACYP19A1
SCHEMBL6974146 0.90 ALDH1A1 (0.36) TDP1MEN1KMT2AMAPTKDM4E
SCHEMBL8800346 0.90 MEN1 (0.32) KCNH2MEN1KMT2ACYP19A1LMNA
SCHEMBL6975584 0.88 TDP1 (0.34) TDP1MEN1KMT2ACYP19A1P2RX3
SCHEMBL8800652 0.86 NPC1 (0.32) ALDH1A1
SCHEMBL8800407 0.85 MEN1 (0.33) MEN1KMT2AP2RX3KDM4EALDH1A1
SCHEMBL8799639 0.85 GRIN1 (0.35) MEN1KMT2AP2RX3MAPTALDH1A1
SCHEMBL8343685 0.85 KCNH2 (0.37) KCNH2TDP1MEN1KMT2AHTT
SCHEMBL6973011 0.84 MEN1 (0.34) KCNH2TDP1MEN1KMT2ACYP19A1

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