SCHEMBL11047299

SCHEMBL11047299

O=c1c2cc(Cl)ccc2nc2n1CCN2C12CCC(CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
KCNH2 Q12809 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
SCHEMBL11044466 0.75 KCNH2 (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11044568 0.74 ADORA2A (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11043885 0.74 ADORA2A (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11047298 0.72 HCAR1 (0.43) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11043888 0.72 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11041195 0.71 TSHR (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11046894 0.71 HSD17B10 (0.51) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11109630 0.71 HSD17B10 (0.77) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11103946 0.70 KDM4E (0.76) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11045059 0.69 SMN1; SMN2 (0.54) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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