SCHEMBL9537222

SCHEMBL9537222

CCOC(=O)N1CCCC(Nc2nc3ccccc3n2CCOc2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.53
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
NOS1 P29475 4/20 0.45
NOS3 P29474 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL9536951 0.90 KDM4E (0.53) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9630521 0.86 KDM4E (0.57) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7985310 0.86 KDM4E (0.56) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14173464 0.85 NOS2 (0.56) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7981649 0.84 KDM4E (0.58) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9539177 0.83 KDM4E (0.57) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL10382576 0.82 KDM4E (0.54) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL10382577 0.82 KDM4E (0.54) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9538096 0.82 KDM4E (0.56) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9629448 0.82 LMNA (0.57) NOS2KDM4EALDH1A1SMN1; SMN2HSD17B10

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed