SCHEMBL11835441

SCHEMBL11835441

CC(O)Cn1cnc(-n2ccnc2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.37
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP19A1 P11511 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL11835437 0.73 LOXL2 (0.37) LOXL2ENPP2MKNK1MKNK2CYP3A4
SCHEMBL218166 0.73
SCHEMBL27894861 0.73
SCHEMBL18583611 0.73
Hydrochloric Acid SCHEMBL27974590 0.71 FDPS (0.52) CYP19A1
SCHEMBL26660697 0.68 BRD4 (0.40) LMNAMAPTSMN1; SMN2
SCHEMBL26660693 0.68 BRD4 (0.40) LMNAMAPTSMN1; SMN2
SCHEMBL30825729 0.68 CYP1A2 (0.45) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL23044706 0.67 FDPS (0.47) CYP19A1
Formic Acid SCHEMBL217826 0.66 FDPS (0.50) CYP19A1

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
US-3932444-A PLASTICIZERS E. I. DU PONT DE NEMOURS & CO. (US) 1976-01-13 US disclosed