SCHEMBL7183793

SCHEMBL7183793

CC(=O)OCC(C)(C)n1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNMA1 Q12791 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PDE5A O76074 2/20 0.40
PDE9A O76083 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KIF11 P52732 2/20 0.37

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
SCHEMBL7191331 0.81 MAPT (0.35) MAPT
SCHEMBL7184379 0.80 PDE4B (0.38) MEN1KMT2ACA12CA9PDE5A
SCHEMBL7178557 0.79 MEN1 (0.56) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL7184199 0.78 MEN1 (0.47) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL7186419 0.76 ALDH1A1 (0.48) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL7183924 0.73 MEN1 (0.42) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL4947575 0.71 MAPT (0.50) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL13195012 0.70 MAPT (0.57) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL30167009 0.70 MAPT (0.57) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL8570527 0.70 HSP90AA1 (0.54) HSP90AA1MAPTMEN1CYP1A2CYP3A4

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-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed