SCHEMBL7083071

SCHEMBL7083071

Cc1ccc(N(CCc2cncn2Cc2ccc(C#N)cc2)C(=S)NCc2cccc(Cl)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
FNTA P49354 13/20 0.47
FNTB P49356 13/20 0.47
PGGT1B P53609 6/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
NRAS P01111 1/20 0.42
HRAS P01112 1/20 0.42

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
SCHEMBL7163852 0.85 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7076898 0.85 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7083327 0.84 CYP11B1 (0.46) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7083324 0.81 FNTA (0.49) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7083066 0.81 KCNH2 (0.47) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7083074 0.79 CYP11B1 (0.44) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7085607 0.74 FNTA (0.51) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7174102 0.74 CYP11B1 (0.47) KCNH2FNTAFNTBCYP11B1CYP11B2
SCHEMBL7077641 0.73 CYP11B1 (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7173341 0.73 CYP11B1 (0.44) KCNH2FNTAFNTBPGGT1BCYP11B1

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