SCHEMBL9338684

SCHEMBL9338684

CN1C(=O)C2=C(c3ccccc3Cl)N(C)C(=O)C2=C1c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
CASP3 P42574 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
TTR P02766 1/20 0.41
CES1 P23141 1/20 0.41
PRKCA P17252 1/20 0.41
GSK3B P49841 1/20 0.41
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2A6 P11509 1/20 0.39
DPP4 P27487 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTPRC P08575 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL6152442 0.74 POLB (0.47) CASP3KDM4EALDH1A1HPGDGAA
SCHEMBL1727593 0.74 UGCG (0.47) CASP3KDM4EALDH1A1GAAGSK3B
SCHEMBL12394337 0.72 POLB (0.45) CASP3KDM4EALDH1A1HPGDGAA
SCHEMBL5070001 0.71 NR1H2 (0.52) CASP3GAATTRCES1SIRT2
SCHEMBL6152233 0.70 HPRT1 (0.45) CASP3KDM4EALDH1A1HPGDGAA
SCHEMBL12725181 0.69 NR1H2 (0.50) CASP3ALDH1A1GSK3B
SCHEMBL7068310 0.69 PTGS2 (0.51) KDM4EALDH1A1HPGDGAAGSK3B
SCHEMBL14620065 0.68 POLB (0.41) CASP3KDM4EALDH1A1HPGDGAA
SCHEMBL9338640 0.68 STK10 (0.45) KDM4EALDH1A1GAAGSK3BPTPRC
SCHEMBL6152286 0.68 COMT (0.42) CASP3KDM4EALDH1A1HPGDTTR

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
US-5354869-A Fluorescent dyes RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed