SCHEMBL7188766

SCHEMBL7188766

CC(=O)OCC(C)(C)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
USP2 O75604 1/20 0.37
KIF11 P52732 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7191668 0.78 PTGER4 (0.49) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7183006 0.78 CFTR (0.45) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7449675 0.76 CFTR (0.46) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL357367 0.74 ALDH1A1 (0.56) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL2235637 0.73 CYP1A2 (0.55) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7955876 0.72 ALDH1A1 (0.48) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7183460 0.72 CFTR (0.42) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7449680 0.71 CFTR (0.46) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL14568587 0.71 CFTR (0.51) CFTRKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL272400 0.70 RXFP1 (0.53) CFTRKDM4EALDH1A1L3MBTL1KMT2A

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