SCHEMBL23567733

SCHEMBL23567733

Cc1cc(N)c(N)cc1N(C)C(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ADRA1A P35348 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL23564686 0.77 ABL1 (0.36) MAPTGAAMAPK1
SCHEMBL29760450 0.75 FSCN1 (0.42) MAPTALDH1A1GAAMAPK1
SCHEMBL23525025 0.75 FSCN1 (0.42) MAPTALDH1A1GAAMAPK1
SCHEMBL23525133 0.75 CD44 (0.35) KDM4EMAPTGAAMAPK1
SCHEMBL736818 0.68 LMNA (0.59) NPSR1LMNAHTTMAPTPOLB
SCHEMBL13052609 0.67 LMNA (0.42) NPSR1LMNAHTTKDM4EMAPT
SCHEMBL31286736 0.67 HTT (0.35) NPSR1LMNAHTTKDM4EMAPT
SCHEMBL23524862 0.66 ITK (0.44)
SCHEMBL23524864 0.66 ITK (0.44)
SCHEMBL9633159 0.65 LMNA (0.42) NPSR1LMNAHTTKDM4EALDH1A1

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
WO-2021124155-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2021-06-24 WO disclosed