SCHEMBL9629616

SCHEMBL9629616

CCOC(=O)N1CCCC(Nc2nc3ccccc3n2Cc2cscn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NOS2 P35228 5/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS1 P29475 4/20 0.42
NOS3 P29474 2/20 0.42
SSTR5 P35346 2/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL9699749 0.97 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9629717 0.92 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL14173464 0.87 NOS2 (0.56) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9630481 0.86 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9630521 0.85 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL8132057 0.84 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9629448 0.84 LMNA (0.57) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9698868 0.84 NOS2 (0.60) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9630499 0.83 SMN1; SMN2 (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL9629294 0.82 LMNA (0.67) KDM4EALDH1A1MAPTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed