SCHEMBL9620850

SCHEMBL9620850

CCOc1c(OC)cc(C(=O)N2CCN(C(=O)C3=Cc4cc(OC)c(OC)cc4CCC3)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9621368 0.97 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL9620939 0.93 POLB (0.52) KMT2ASMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL9620863 0.91 POLB (0.58) SMN1; SMN2GAAALDH1A1L3MBTL1POLB
Methyl Alcohol SCHEMBL9782201 0.89 POLB (0.57) SMN1; SMN2GAAALDH1A1L3MBTL1POLB
SCHEMBL9620917 0.89 POLB (0.54) KMT2ASMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL9620811 0.88 POLB (0.58) SMN1; SMN2GAAALDH1A1L3MBTL1POLB
SCHEMBL9620806 0.88 POLB (0.58) SMN1; SMN2GAAALDH1A1L3MBTL1POLB
SCHEMBL9621255 0.86 POLB (0.61) SMN1; SMN2GAAALDH1A1L3MBTL1POLB
SCHEMBL9620842 0.84 ALDH1A1 (0.52) KMT2AGAAALDH1A1L3MBTL1POLB
SCHEMBL10565148 0.83 POLB (0.55) SMN1; SMN2GAAALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed