SCHEMBL7086162

SCHEMBL7086162

N#Cc1ccc(Cn2cncc2CCN(Cc2ccccc2C(F)(F)F)C(=S)Nc2cccc(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PGGT1B P53609 4/20 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
SCHEMBL7079751 0.92 CYP11B1 (0.46) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7084767 0.91 FNTA (0.52) FNTAFNTBCYP11B1CYP11B2MEN1
SCHEMBL7086262 0.88 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2MEN1
SCHEMBL7086535 0.88 CYP11B1 (0.48) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7082955 0.88 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2MEN1
SCHEMBL7076893 0.88 ALDH1A1 (0.42) FNTAFNTBCYP11B1CYP11B2MEN1
SCHEMBL7080944 0.87 CYP11B1 (0.47) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7082299 0.86 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8501470 0.85 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL8498512 0.85 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2PGGT1B

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