SCHEMBL9853450

SCHEMBL9853450

Cc1cc(N)ccc1OCC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
SCN4A P35499 2/20 0.37
VDR P11473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MCHR1 Q99705 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9853446 0.89 MCHR1 (0.34) KDM4ESCN4AVDRALDH1A1MRGPRX4
SCHEMBL8175332 0.80 ALDH1A1 (0.43) KDM4EVDRALDH1A1AAK1HDAC3
SCHEMBL942491 0.78 VDR (0.51) VDRALDH1A1MCHR1HDAC3HDAC6
SCHEMBL2565945 0.76 ALDH1A1 (0.52) KDM4EALDH1A1MCHR1AAK1GAA
SCHEMBL9654477 0.76 MAOB (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL508229 0.75 NUDT1 (0.47) KDM4EVDRALDH1A1AAK1HDAC3
SCHEMBL1407008 0.74 FFAR4 (0.56) MRGPRX4GAAMAPTHTTTDP1
SCHEMBL20496732 0.73 ALDH1A1 (0.53) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL20496733 0.73 ALDH1A1 (0.50) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL8542281 0.72 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ACYP1A2

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-0446718-A2 Phenoxy bis-maleimides and process for their preparation Bromine Compounds Ltd. (IL) 1991-09-18 EP disclosed