SCHEMBL7076893

SCHEMBL7076893

Cc1ccc(NC(=S)N(CCc2cncn2Cc2ccc(C#N)cc2)Cc2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
PGGT1B P53609 6/20 0.40
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7078782 0.91 ALDH1A1 (0.45) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL7178460 0.91 FNTA (0.46) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL7079751 0.89 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086162 0.88 FNTA (0.46) MAPTCYP11B1CYP11B2FNTAFNTB
SCHEMBL7076127 0.87 HTT (0.48) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL7083126 0.87 LMNA (0.44) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL7082299 0.87 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7085199 0.86 CYP11B1 (0.46) HTTSMN1; SMN2NPSR1CYP11B1CYP11B2
SCHEMBL7174102 0.86 CYP11B1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL7173341 0.86 CYP11B1 (0.44) ALDH1A1MAPTHTTSMN1; 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