SCHEMBL8811272

SCHEMBL8811272

Cn1nnc(-c2cccc(CNCc3ccccc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
ACLY P53396 1/20 0.43
AOC3 Q16853 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NMT1 P30419 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CARM1 Q86X55 1/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL20178540 0.81 IDO1 (0.45) RAB9AL3MBTL1SMN1; SMN2NPC1ACLY
SCHEMBL23850221 0.80 RAB9A (0.42) RAB9AL3MBTL1SMN1; SMN2NPC1ACLY
SCHEMBL8212790 0.79 ACLY (0.53) RAB9AL3MBTL1SMN1; SMN2NPC1ACLY
SCHEMBL4842993 0.77 MEN1 (0.44) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL8811824 0.77 ALDH1A1 (0.48) NMT1ALDH1A1CARM1
SCHEMBL14589083 0.77 RAB9A (0.59) RAB9AL3MBTL1SMN1; SMN2NPC1AOC3
SCHEMBL13949684 0.77 RAB9A (0.68) RAB9AL3MBTL1SMN1; SMN2NPC1AOC3
SCHEMBL344042 0.77 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5696903 0.76 RAB9A (0.67) RAB9AL3MBTL1SMN1; SMN2NPC1AOC3
SCHEMBL8810145 0.74 KMT2A (0.57) SMN1; SMN2LMNANMT1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed