SCHEMBL7084530

SCHEMBL7084530

COc1ccc(NC(=S)N(CCc2cncn2Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
FNTA P49354 7/20 0.43
FNTB P49356 7/20 0.43
PGGT1B P53609 3/20 0.40
ROCK1 Q13464 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL7082963 0.90 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083060 0.89 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083331 0.88 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084937 0.87 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084624 0.86 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082959 0.86 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083407 0.86 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7173341 0.86 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7078625 0.85 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7075704 0.85 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B

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