SCHEMBL7174102

SCHEMBL7174102

CCCN(CCc1cncn1Cc1ccc(C#N)cc1)C(=S)Nc1ccc(C)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 7/20 0.47
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 1/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7178460 0.90 FNTA (0.46) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7078782 0.90 ALDH1A1 (0.45) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7083066 0.88 KCNH2 (0.47) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7173341 0.87 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7076893 0.86 ALDH1A1 (0.42) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7076127 0.85 HTT (0.48) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7083324 0.84 FNTA (0.49) CYP11B1CYP11B2ALDH1A1GAASMN1; SMN2
SCHEMBL7079230 0.79 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1SMN1; SMN2FNTA
SCHEMBL7083123 0.78 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7082156 0.78 FNTA (0.47) CYP11B1CYP11B2ALDH1A1MAPTFNTA

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