SCHEMBL7076127

SCHEMBL7076127

Cc1ccc(NC(=S)N(CCCc2cncn2Cc2ccc(C#N)cc2)Cc2ccccc2C)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
FNTA P49354 6/20 0.45
FNTB P49356 6/20 0.45
PGGT1B P53609 4/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7178460 0.95 FNTA (0.46) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7078782 0.91 ALDH1A1 (0.45) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7083324 0.90 FNTA (0.49) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7076893 0.87 ALDH1A1 (0.42) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7077644 0.86 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7174102 0.85 CYP11B1 (0.47) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7083066 0.85 KCNH2 (0.47) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7082156 0.85 FNTA (0.47) ALDH1A1MAPTCYP11B1CYP11B2FNTA
SCHEMBL7086062 0.84 CYP11B1 (0.47) HTTSMN1; SMN2CYP11B1CYP11B2FNTA
SCHEMBL7173341 0.84 CYP11B1 (0.44) HTTALDH1A1MAPTSMN1; SMN2GAA

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