SCHEMBL7186419

SCHEMBL7186419

CC(=O)OC[C@@H](C)n1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 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
MDM2 Q00987 1/20 0.39
PDE5A O76074 2/20 0.39
PDE9A O76083 2/20 0.39

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
SCHEMBL7456189 0.91 B3GNT2 (0.43) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7185230 0.83 ALDH1A1 (0.54) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7183756 0.80 PDE4B (0.47) MEN1KMT2APOLBB3GNT2
SCHEMBL7178509 0.80 PGR (0.38) MAPTPOLB
SCHEMBL7187351 0.80 PGR (0.38) MAPTPOLB
SCHEMBL7178381 0.79 ALDH1A1 (0.69) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7184199 0.77 MEN1 (0.47) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7183793 0.76 HSP90AA1 (0.46) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7452685 0.73 B3GNT2 (0.45) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7183924 0.72 MEN1 (0.42) ALDH1A1HSP90AA1MEN1CYP1A2CYP3A4

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