SCHEMBL6231964

SCHEMBL6231964

CC(Cc1ccccc1)Nc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.67
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 1/20 0.37
KAT2B Q92831 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6232216 0.85 MAPK14 (0.65) MAPK14RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL6371391 0.83 MAPK14 (0.61) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6389456 0.83 MAPK14 (0.61) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6389464 0.83 MAPK14 (0.61) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6232218 0.81 MAPK14 (0.71) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6348612 0.81 MAPK14 (1.00) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6370521 0.80 MAPK14 (0.57) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6370524 0.80 MAPK14 (0.57) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6377993 0.80 MAPK14 (0.57) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1
SCHEMBL6371737 0.80 MAPK14 (0.57) MAPK14RAB9ASMN1; SMN2NPBWR1MCHR1

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-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed