SCHEMBL21548810

SCHEMBL21548810

Cc1ccc(Cc2c(C)nc(C(=O)O)nc2NCCCOC(C)C)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36

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
SCHEMBL21526064 0.93 GPR6 (0.39) TLR7MEN1KMT2ANPSR1
SCHEMBL21526104 0.77 SMN1; SMN2 (0.38) TLR7MAPTMAPK1CASP3BLM
SCHEMBL20356749 0.76 SMN1; SMN2 (0.43) TLR7NPSR1
Hydrochloric Acid SCHEMBL21526020 0.75 SMN1; SMN2 (0.42) TLR7NPSR1
SCHEMBL21526073 0.74 SMN1; SMN2 (0.44) KDM4EALDH1A1NPSR1
SCHEMBL21548809 0.73 SMN1; SMN2 (0.43) MAPTKDM4EALDH1A1NPSR1TDP1
Hydrochloric Acid SCHEMBL21526024 0.73 SMN1; SMN2 (0.43) MAPTKDM4EALDH1A1NPSR1TDP1
Hydrochloric Acid SCHEMBL21526127 0.73 SMN1; SMN2 (0.43) KDM4EALDH1A1NPSR1
SCHEMBL21548806 0.71 SMN1; SMN2 (0.44) KMT2AALDH1A1NPSR1
SCHEMBL21548948 0.71 PKM (0.36) MEN1KMT2AMAPTALDH1A1GAA

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-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
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