SCHEMBL9016475

SCHEMBL9016475

Cc1cccc([Se]c2c(C(C)C)c(=O)[nH]c(=S)n2COCCO)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PNP P00491 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30
UPP1 Q16831 1/20 0.30
GAA P10253 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL9016457 0.90 UPP1 (0.38) ALDH1A1PNPUPP1
SCHEMBL8430830 0.90 PNP (0.33) PNPHTT
SCHEMBL8428993 0.89 KDM4E (0.34) KDM4ELMNAALDH1A1HPGDALOX12
SCHEMBL8428848 0.89 UPP1 (0.37) KDM4EALDH1A1HPGDALOX12PNP
SCHEMBL8426834 0.86 ALDH1A1 (0.43) KDM4ELMNAALDH1A1HPGDALOX12
SCHEMBL8430467 0.85 ALDH1A1 (0.34) KDM4ELMNAALDH1A1HPGDALOX12
SCHEMBL8430886 0.80 UPP1 (0.35) ALDH1A1PNPHTTUPP1
SCHEMBL8430852 0.79 ALDH1A1 (0.36) KDM4EALDH1A1L3MBTL1MAPTHTT
SCHEMBL7532995 0.79 GAA (0.32) GAA
SCHEMBL8427021 0.79 UPP1 (0.46) ALDH1A1HPGDPNPUPP1

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-0748316-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP disclosed
WO-1995023138-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-08-31 WO disclosed