SCHEMBL3240767

SCHEMBL3240767

OC(C(CCCCOc1cccc(Cl)c1)n1cncn1)C1(Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3236422 0.89 HRH3 (0.40) HRH3LMNAMAPK1HTTSMN1; SMN2
SCHEMBL3237661 0.80 MAPK1 (0.40) MAPK1KMT2AMEN1
SCHEMBL3230952 0.80 HRH3 (0.41) HRH3LMNAMAPK1HTTSMN1; SMN2
SCHEMBL3233841 0.79 MAPK1 (0.49) MAPK1KMT2AMEN1TDP1CYP2D6
SCHEMBL3235712 0.77 HRH3 (0.41) HRH3
SCHEMBL3239393 0.75 HRH3 (0.45) HRH3
SCHEMBL3232870 0.72 SMN1; SMN2 (0.45) LMNAHTTSMN1; SMN2KMT2ACYP2D6
SCHEMBL3227312 0.69 GRM5 (0.35) MAPK1
SCHEMBL1922823 0.69 MEN1 (0.53) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL10915818 0.68 MEN1 (0.51) LMNASMN1; SMN2KMT2AMEN1TDP1

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-2010029066-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed