SCHEMBL7456604

SCHEMBL7456604

CC(=O)O[C@H](C)Cn1c(=O)[nH]c2cc(C(F)(F)F)cnc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
GRIN1 Q05586 8/20 0.37
GRIN2B Q13224 8/20 0.37
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAOB P27338 1/20 0.34
B3GNT2 Q9NY97 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 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
SCHEMBL7447106 0.80 PDE4B (0.40) PDE4BGRIN1GRIN2BLMNAB3GNT2
SCHEMBL7183756 0.76 PDE4B (0.47) PDE4BKCNH2LMNAB3GNT2MEN1
SCHEMBL7184379 0.72 PDE4B (0.38) PDE4BKCNH2LMNACA12CA9
SCHEMBL16593900 0.71 MEN1 (0.61) PDE4BKCNH2LMNASMN1; SMN2CA12
SCHEMBL7180232 0.69 HSD11B1 (0.39) PDE4BSMN1; SMN2MEN1KMT2AGAA
SCHEMBL7180238 0.69 HSD11B1 (0.39) PDE4BSMN1; SMN2MEN1KMT2AGAA
SCHEMBL7444613 0.64 SMN1; SMN2 (0.43) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL18600696 0.62 PTGS2 (0.39) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL18600693 0.62 PTGS2 (0.39) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL7191692 0.62 ALDH1A1 (0.49) KCNH2SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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