SCHEMBL7183924

SCHEMBL7183924

CC(=O)OCC1(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNMA1 Q12791 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PDE5A O76074 2/20 0.37
PDE9A O76083 2/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7451654 0.92 MAOB (0.37) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL7452420 0.75 HSD11B1 (0.37) CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7184199 0.73 MEN1 (0.47) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL7183793 0.73 HSP90AA1 (0.46) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL7186419 0.72 ALDH1A1 (0.48) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL31743738 0.68 CYP3A4 (0.41) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL7190464 0.67 ALDH1A1 (0.45) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL7190455 0.67 ALDH1A1 (0.45) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL7190460 0.67 ALDH1A1 (0.45) MEN1KMT2AHSP90AA1CYP1A2CYP3A4
SCHEMBL4947575 0.67 MAPT (0.50) MEN1KMT2AHSP90AA1CYP1A2CYP3A4

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