SCHEMBL7183756

SCHEMBL7183756

CC(=O)OC[C@@H](C)n1c(=O)[nH]c2cc(C(F)(F)F)cnc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.47
B3GNT2 Q9NY97 3/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.35
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33

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
SCHEMBL7187300 0.80 PDE4B (0.48) PDE4BLMNAMEN1KMT2A
SCHEMBL7186419 0.80 ALDH1A1 (0.48) B3GNT2POLBMEN1KMT2A
SCHEMBL7456189 0.78 B3GNT2 (0.43) B3GNT2KDM4EMEN1KMT2A
SCHEMBL7184379 0.77 PDE4B (0.38) PDE4BB3GNT2LMNAPOLBKDM4E
SCHEMBL7456604 0.76 PDE4B (0.40) PDE4BB3GNT2LMNAPOLBKCNH2
SCHEMBL16593900 0.71 MEN1 (0.61) PDE4BLMNAPOLBKDM4EMAPK1
SCHEMBL7180238 0.69 HSD11B1 (0.39) PDE4BKDM4EMEN1KMT2A
SCHEMBL7180232 0.69 HSD11B1 (0.39) PDE4BKDM4EMEN1KMT2A
SCHEMBL7187351 0.65 PGR (0.38) PDE4BPOLB
SCHEMBL7178509 0.65 PGR (0.38) PDE4BPOLB

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 3 patents. 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
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed