SCHEMBL6237072

SCHEMBL6237072

O=c1cnn(-c2c(Cl)cccc2Cl)c(Br)c1Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PAX8 Q06710 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
S1PR1 P21453 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNJ5 P48544 2/20 0.33
KCNJ3 P48549 2/20 0.33
NPBWR1 P48145 1/20 0.33

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
SCHEMBL6370511 0.77 NPC1 (0.58) MAPK14ALDH1A1NPC1RAB9APAX8
SCHEMBL6378562 0.74 MAPK14 (0.55) MAPK14ALDH1A1NPC1RAB9APAX8
SCHEMBL6901757 0.74 NPC1 (0.59) MAPK14ALDH1A1NPC1RAB9APAX8
SCHEMBL11732101 0.70 RAB9A (0.64) MAPK14ALDH1A1NPC1RAB9APAX8
SCHEMBL6370976 0.68 MAPK14 (0.78) MAPK14ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL6376389 0.68 MAPK14 (0.68) MAPK14ALDH1A1NPC1RAB9APAX8
SCHEMBL15542499 0.67 LDHA (0.53) MAPK14ALDH1A1SMN1; SMN2
SCHEMBL6232421 0.66 MAPK14 (0.73) MAPK14ALDH1A1LMNA
SCHEMBL25368518 0.66 MAPK14 (0.43) MAPK14
SCHEMBL6273207 0.66 MAPK14 (0.57) MAPK14ALDH1A1SMN1; SMN2

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
WO-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP disclosed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 WO disclosed