SCHEMBL5774612

SCHEMBL5774612

[C-]#[N+]/C(C(=O)OC)=C(\Br)c1c(F)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.42
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7225910 0.82 CYP11B1 (0.39) GAARAB9AMAPTPOLBKMT2A
SCHEMBL5777872 0.75 GAA (0.41) GAARAB9AMAPTNPSR1JAK2
SCHEMBL946028 0.72 LMNA (0.55) GAARAB9AMAPTNPSR1JAK2
SCHEMBL3493043 0.71 TSHR (0.44) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL3493650 0.71 TSHR (0.44) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL6935703 0.71 GAA (0.47) GAARAB9AMAPTNPSR1JAK2
SCHEMBL6935698 0.71 GAA (0.47) GAARAB9AMAPTNPSR1JAK2
SCHEMBL2070179 0.70 L3MBTL1 (0.45) GAARAB9AMAPTNPSR1JAK2
SCHEMBL6935828 0.70 GAA (0.46) GAARAB9AMAPTNPSR1JAK2
SCHEMBL30437149 0.70 GAA (0.46) GAARAB9AMAPTNPSR1JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed