SCHEMBL8498579

SCHEMBL8498579

CC[C@H](C)[C@@H](CN(Cc1cccc(Cl)c1Cl)C(N)=S)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.43
FNTB P49356 15/20 0.43
PGGT1B P53609 8/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 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
SCHEMBL8392028 0.93 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8392029 0.93 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501074 0.92 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501077 0.92 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8482043 0.92 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8482042 0.92 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8632373 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486428 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486425 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9052144 0.90 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2

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