SCHEMBL7083380

SCHEMBL7083380

Cn1cc(C(C(N)=S)N(CCc2cncn2Cc2ccc(C#N)cc2)c2cccc(F)c2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
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
SCHEMBL7085597 0.83 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7083504 0.74 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL7080129 0.73 FNTA (0.45) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7083074 0.72 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7081094 0.71 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL7081576 0.69 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7084215 0.69 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7077067 0.69 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7084767 0.68 FNTA (0.52) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7082935 0.68 MAPT (0.59) CYP11B1CYP11B2FNTAFNTB

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