SCHEMBL7784450

SCHEMBL7784450

CON=CC(=NOC)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.38
CFTR P13569 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CES2 O00748 1/20 0.34
IDO1 P14902 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
DDR1 Q08345 1/20 0.32
BACE1 P56817 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29846916 0.80 CFTR (0.40) PDE2ACFTRGAAMEN1KMT2A
SCHEMBL6815955 0.80 CFTR (0.40) PDE2ACFTRGAAMEN1KMT2A
SCHEMBL6815951 0.80 CFTR (0.40) PDE2ACFTRGAAMEN1KMT2A
SCHEMBL27471287 0.78 PDE2A (0.40) PDE2ACFTRMEN1KMT2ACES2
SCHEMBL7785667 0.76 TAS1R3 (0.38) IDO1
SCHEMBL7784407 0.74 NOTUM (0.33) CES2
SCHEMBL7872121 0.73 CES2 (0.42) CES2CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL6815686 0.70 GAA (0.44) PDE2ACFTRGAAMEN1KMT2A
SCHEMBL6815688 0.70 GAA (0.44) PDE2ACFTRGAAMEN1KMT2A
SCHEMBL284138 0.69 CFTR (0.64) CFTRGAAMEN1KMT2ACES2

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-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed