SCHEMBL6503561

SCHEMBL6503561

C[CH]NC(=O)c1ccnc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TAS1R2 Q8TE23 2/20 0.51
SMARCA2 P51531 2/20 0.42
SMARCA4 P51532 2/20 0.42
PREP P48147 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
FAP Q12884 1/20 0.41
MAPK14 Q16539 1/20 0.41
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GFER P55789 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
BRAF P15056 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL5743063 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL1544471 0.77 KDM4E (0.55) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL6504213 0.77 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL2801067 0.77 FDPS (0.57) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL13701663 0.77 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL10339477 0.77 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL13702388 0.77 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL364320 0.74 SMARCA2 (0.49) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL29640105 0.74 SMARCA2 (0.49) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL24568629 0.74 PREP (0.50) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4

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
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed