SCHEMBL7488162

SCHEMBL7488162

COc1c(C)cccc1-c1nsc2ccc(N)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
EPAS1 Q99814 3/20 0.34
SQOR Q9Y6N5 1/20 0.34
PDE7A Q13946 3/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SCN4A P35499 3/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
SCN1A P35498 2/20 0.31
SCN5A Q14524 2/20 0.31
SCN9A Q15858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNK3 O14649 1/20 0.31

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
SCHEMBL7458309 0.79 PDE7A (0.35) EPAS1SQORPDE7AGAATSHR
SCHEMBL6589014 0.75 ALDH1A1 (0.41) PDE7AGAACYP3A4LMNAALDH1A1
SCHEMBL6589021 0.73 KDM4E (0.42) LMNAALDH1A1KDM4EMAPTNPC1
SCHEMBL31165729 0.70 GRM4 (0.41) GAACYP3A4TSHRLMNANFKB1
SCHEMBL855507 0.70 GRM4 (0.41) GAACYP3A4TSHRLMNANFKB1
SCHEMBL6011402 0.70 CASP1 (0.42) TLR8MGAMGAASIMGAM2
SCHEMBL6984484 0.69 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10
SCHEMBL6772176 0.68 EPAS1 (0.32) EPAS1
SCHEMBL6573783 0.68 PDE10A (0.50) TLR8MGAMGAASIMGAM2
SCHEMBL6772566 0.65 ALDH1A1 (0.33) GAASCN9AALDH1A1KDM4EMAPT

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-1177193-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed