SCHEMBL7449680

SCHEMBL7449680

CC(=O)O[C@H](C)CNc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
GFER P55789 2/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LIPC P11150 1/20 0.36

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
SCHEMBL356821 0.80 ALDH1A1 (0.50) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL7444613 0.78 SMN1; SMN2 (0.43) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL7191668 0.77 PTGER4 (0.49) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL7361203 0.77 KDM4E (0.43) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL7449675 0.75 CFTR (0.46) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL2235637 0.72 CYP1A2 (0.55) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL356011 0.72 ALDH1A1 (0.54) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL27684987 0.72 ALDH1A1 (0.48) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL11874548 0.72 ALDH1A1 (0.52) CFTRALDH1A1MAPTKDM4EKMT2A
SCHEMBL30129591 0.72 NLRP3 (0.44) CFTRALDH1A1KDM4EHPGDHSD17B10

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