SCHEMBL1509422

SCHEMBL1509422

CCCNC(=O)Cc1cc(-c2ccc(OCCC)cc2C(F)(F)F)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MTNR1A P48039 2/20 0.36
TP53 P04637 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LIMK1 P53667 1/20 0.35
ACACB O00763 1/20 0.35
RAB9A P51151 2/20 0.35
PDK2 Q15119 1/20 0.35
NPC1 O15118 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL1509440 0.94 HDAC4 (0.41) SMN1; SMN2HTTPOLBLMNAALDH1A1
SCHEMBL1509420 0.93 SMN1; SMN2 (0.36) SMN1; SMN2HTTPOLBLMNAALDH1A1
SCHEMBL1509405 0.91 ALK (0.37) SMN1; SMN2HTTPOLBLMNAALDH1A1
SCHEMBL1509402 0.90 ALK (0.37) SMN1; SMN2HTTPOLBLMNAALDH1A1
SCHEMBL1509384 0.90 ALK (0.37) SMN1; SMN2HTTPOLBLMNAALDH1A1
SCHEMBL1509457 0.90 PDK2 (0.38) SMN1; SMN2ALDH1A1MAPTTP53THRA
SCHEMBL1509398 0.89 VHL (0.46) SMN1; SMN2ALDH1A1MAPTTP53THRA
SCHEMBL1436664 0.87 MAPT (0.43) SMN1; SMN2LMNAALDH1A1MAPTTP53
SCHEMBL1509418 0.83 THRA (0.36) SMN1; SMN2ALDH1A1MAPTTP53THRA
SCHEMBL1437847 0.81 PDK2 (0.41) LMNAALDH1A1MAPTTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO claimed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed