SCHEMBL300192

SCHEMBL300192

C=C(C(=O)O)n1ncc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
ELANE P08246 1/20 0.49
ASAH1 Q13510 2/20 0.48
KMO O15229 1/20 0.47
PKM P14618 1/20 0.41
RECQL P46063 2/20 0.41
DAO P14920 1/20 0.39
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
IKBKE Q14164 1/20 0.37
MAPK14 Q16539 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
POLB P06746 3/20 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
SCHEMBL2460851 0.85 SLC22A12 (0.48) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL260982 0.82 SLC22A12 (0.54) TFPI2SLC22A12ELANEASAH1KMO
Hydrochloric Acid SCHEMBL30581596 0.80 SLC22A12 (0.53) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL4423022 0.80 SLC22A12 (0.55) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL5354143 0.78 ELANE (0.51) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL496975 0.77 ELANE (0.70) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL1087434 0.77 CHEK1 (0.60) TFPI2SLC22A12ELANEASAH1KMO
Indazole Carboxamide SCHEMBL42505 0.77 SLC22A12 (0.53) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL2025416 0.77 SLC22A12 (0.56) TFPI2SLC22A12ELANEASAH1KMO
SCHEMBL29238955 0.76 ELANE (0.68) TFPI2SLC22A12ELANEASAH1KMO

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
JP-2013216579-A METHOD FOR PRODUCING TRISUBSTITUTED INDAZOLEACRYLAMIDE DERIVATIVE MITSUBISHI TANABE PHARMA CORP 2013-10-24 JP disclosed
WO-2012005312-A1 PROCESS FOR PREPARATION OF TRISUBSTITUTED INDAZOLEACRYLAMIDE DERIVATIVES 田辺三菱製薬株式会社 (JP) 2012-01-12 WO disclosed