SCHEMBL7081729

SCHEMBL7081729

Cc1cccc(CN(CCc2cncn2Cc2ccc(C#N)cc2)C(=S)Nc2cccc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.46
FNTB P49356 5/20 0.46
CYP11B1 P15538 7/20 0.45
CYP11B2 P19099 7/20 0.45
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
PGGT1B P53609 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL7084767 0.86 FNTA (0.52) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7083407 0.85 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7078625 0.84 CYP11B1 (0.47) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7086162 0.84 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7173341 0.83 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7082935 0.83 MAPT (0.59) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7082156 0.79 FNTA (0.47) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7084530 0.79 CYP11B1 (0.46) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7084727 0.78 HTT (0.50) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7083066 0.77 KCNH2 (0.47) FNTAFNTBCYP11B1CYP11B2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed