SCHEMBL8910407

SCHEMBL8910407

CC1=C(C(=O)Oc2cccc(N(C)C)c2)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.33
F10 P00742 2/20 0.32
F2 P00734 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
HTT P42858 1/20 0.31
CCKBR P32239 1/20 0.31
HSD17B1 P14061 3/20 0.31
HSD17B2 P37059 3/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL8148024 0.87 TDP2 (0.40) KMT2AHTT
SCHEMBL8155023 0.84 HTT (0.33) KMT2AF10HTT
SCHEMBL9434751 0.81 POLB (0.33) KMT2A
SCHEMBL8910285 0.80 PARP10 (0.44) KMT2AF2
SCHEMBL8909858 0.78 MAPT (0.30) KMT2A
SCHEMBL8910147 0.78 LMNA (0.31) HTT
SCHEMBL8910392 0.77 CCNB2 (0.32) HTT
SCHEMBL8155881 0.77 TDP2 (0.30) HTT
SCHEMBL8540291 0.76 MYC (0.33) KMT2A
SCHEMBL8153428 0.75 TP53 (0.36) KMT2AHTT

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
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US claimed
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed