SCHEMBL8498191

SCHEMBL8498191

CCOC(=O)CNC(=S)N(Cc1ccccc1C(F)(F)F)CC(C)(C)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
FNTA P49354 15/20 0.41
FNTB P49356 15/20 0.41
PGGT1B P53609 12/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 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
SCHEMBL8580380 0.90 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8485267 0.90 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8341077 0.89 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489588 0.89 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8495120 0.88 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498195 0.88 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8502046 0.88 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501521 0.87 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8638154 0.86 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8491328 0.86 CYP11B1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 WO disclosed