SCHEMBL7080183

SCHEMBL7080183

N#Cc1ccc(Cn2cncc2CCCN(Cc2cccc(Cl)c2Cl)C(=S)Nc2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 7/20 0.47
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PGGT1B P53609 4/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7086062 0.92 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083275 0.89 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082371 0.89 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7080944 0.87 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084385 0.86 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082156 0.84 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBEGFR
SCHEMBL7086375 0.83 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086535 0.81 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7076127 0.81 HTT (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077062 0.81 ALDH1A1 (0.46) 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