SCHEMBL11047298

SCHEMBL11047298

O=c1c2cc(Cl)ccc2nc2n1CCN2C1CC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.43
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
SCHEMBL11044466 0.79 KCNH2 (0.44) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11044568 0.78 ADORA2A (0.44) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11043885 0.78 ADORA2A (0.44) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11041195 0.74 TSHR (0.44) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11047299 0.72 KDM4E (0.41) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11043888 0.69 KDM4E (0.51) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11046894 0.69 HSD17B10 (0.51) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11109630 0.69 HSD17B10 (0.77) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11103946 0.68 KDM4E (0.76) KDM4EHSD17B10LMNAHTTALDH1A1
SCHEMBL11045059 0.67 SMN1; SMN2 (0.54) KDM4EHSD17B10LMNAHTTALDH1A1

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-4451448-A 1-Substituted tricyclic quinazolinones useful as tranquilizers SANDOZ, INC. (US) 1984-05-29 US disclosed