SCHEMBL8809265

SCHEMBL8809265

Cc1n[nH]cc1-c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
BCHE P06276 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
VSIR Q9H7M9 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ROCK2 O75116 1/20 0.39
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8808211 0.87 BCHE (0.42) SMN1; SMN2BCHEPDCD1CD274VSIR
SCHEMBL3379956 0.80 AKT2 (0.44) KMT2AAKT1ALDH1A1HTT
SCHEMBL3245892 0.78 ROCK2 (0.62) SMN1; SMN2TP53MEN1KMT2AROCK2
SCHEMBL21371026 0.77 TP53 (0.43) SMN1; SMN2TP53MEN1KMT2ATDP1
SCHEMBL28153807 0.76 AKT2 (0.51) CD274CYP1A2
SCHEMBL23752274 0.73 AKT2 (0.54) CYP1A2
SCHEMBL3242948 0.72 ROCK2 (0.62) SMN1; SMN2TP53ROCK2ALDH1A1MAPT
SCHEMBL1978865 0.72 AKT2 (0.55) SMN1; SMN2MEN1KMT2ATDP1ROCK2
SCHEMBL17447224 0.71 HTT (0.57) SMN1; SMN2BCHETP53THRBMEN1
SCHEMBL9080452 0.70 MEN1 (0.61) SMN1; SMN2BCHEMEN1KMT2ATDP1

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