SCHEMBL9688086

SCHEMBL9688086

COc1cccc(CN(C)C(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.46
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HSD17B1 P14061 1/20 0.41
USP2 O75604 1/20 0.41
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL9164713 0.82 MMP13 (0.48) HPGDUSP2ALDH1A1LMNA
SCHEMBL9686935 0.81 CNR1 (0.47) POLBROCK2ROCK1ALDH1A1
SCHEMBL9280239 0.78 RXFP1 (0.45) MEN1KMT2ARXFP1ALDH1A1
SCHEMBL9164720 0.70 TAAR1 (0.39) ALDH1A1
SCHEMBL9687941 0.69 EZH2 (0.40) HPGDMEN1KMT2AROCK2
SCHEMBL9278822 0.69 RAB9A (0.46) POLBHPGDRECQLMEN1KMT2A
SCHEMBL9688033 0.69 HTT (0.49) POLBHPGDRECQLMEN1KMT2A
SCHEMBL9416583 0.68 HSD17B2 (0.74) HSD17B2POLBHPGDRECQLMEN1
SCHEMBL15831230 0.68 MEN1 (0.62) HSD17B2POLBHPGDRECQLMEN1
SCHEMBL9687454 0.67 MEN1 (0.39) RECQLMEN1KMT2AALDH1A1

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
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed