SCHEMBL14209201

SCHEMBL14209201

CC(C)Nc1cc(-c2ccc(NC(=O)c3cncc(F)c3)cc2)sc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTPN1 P18031 5/20 0.46
ABL1 P00519 1/20 0.43
DGAT1 O75907 1/20 0.43
PTPRA P18433 2/20 0.41
PTPRF P10586 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM3 Q86V86 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN11 Q06124 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL2433060 0.75 DGAT1 (0.45) POLBMEN1KMT2AMAPTCRHBP
SCHEMBL2433058 0.75 DGAT1 (0.45) POLBMEN1KMT2AMAPTCRHBP
SCHEMBL12328850 0.75 NFKB1 (0.43) MEN1KMT2AMAPTPTPN1PTPRA
SCHEMBL612106 0.75 PTPN1 (0.48) POLBMEN1KMT2AMAPTCRHBP
SCHEMBL14048862 0.74 POLB (0.59) POLBMEN1KMT2AMAPTCRHBP
SCHEMBL8239558 0.73 PTPN1 (0.62) POLBMEN1KMT2AMAPTCRHBP
SCHEMBL2432206 0.71 DGAT1 (0.42) POLBMAPTABL1DGAT1KDM4E
SCHEMBL2432209 0.71 DGAT1 (0.42) POLBMAPTABL1DGAT1KDM4E
SCHEMBL29936834 0.70 MEN1 (0.57) POLBMEN1KMT2AABL1KDM4E
SCHEMBL2874727 0.68 IKBKB (0.67) POLBMEN1KMT2AMAPTPTPN1

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-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO disclosed