SCHEMBL7085607

SCHEMBL7085607

N#Cc1ccc(Cn2cncc2CCCN(Cc2cccc(Cl)c2)C(=S)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.51
FNTB P49356 11/20 0.51
PGGT1B P53609 6/20 0.51
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
KCNH2 Q12809 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.46
ROCK1 Q13464 1/20 0.45
NRAS P01111 1/20 0.43
HRAS P01112 1/20 0.43

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 0.92 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7078625 0.90 CYP11B1 (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7083331 0.88 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7086262 0.88 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7083066 0.87 KCNH2 (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7084727 0.84 HTT (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7079230 0.84 CYP11B1 (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7076127 0.81 HTT (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7082955 0.80 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7080183 0.80 CYP11B1 (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2

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