SCHEMBL7083066

SCHEMBL7083066

Cc1ccc(NC(=S)N(CCc2cncn2Cc2ccc(C#N)cc2)Cc2cccc(Cl)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
FNTA P49354 11/20 0.47
FNTB P49356 11/20 0.47
PGGT1B P53609 6/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ROCK1 Q13464 1/20 0.44
NRAS P01111 1/20 0.42
HRAS P01112 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL7083324 0.96 FNTA (0.49) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7173341 0.93 CYP11B1 (0.44) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7178460 0.89 FNTA (0.46) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7078782 0.89 ALDH1A1 (0.45) FNTAFNTBPGGT1BALDH1A1SMN1; SMN2
SCHEMBL7174102 0.88 CYP11B1 (0.47) KCNH2FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL7085607 0.87 FNTA (0.51) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7078625 0.86 CYP11B1 (0.47) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7076893 0.85 ALDH1A1 (0.42) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7076127 0.85 HTT (0.48) KCNH2FNTAFNTBPGGT1BALDH1A1
SCHEMBL7084727 0.83 HTT (0.50) KCNH2FNTAFNTBPGGT1BALDH1A1

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