SCHEMBL8500925

SCHEMBL8500925

CCC(C)C(CN(Cc1cccc(Cl)c1Cl)C(=S)Nc1ccccc1OC)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.42
FNTB P49356 13/20 0.42
PGGT1B P53609 9/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8500920 1.00 FNTA (0.42) FNTAFNTBPGGT1BALDH1A1CYP11B1
SCHEMBL8632373 0.94 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8497516 0.92 FNTA (0.41) FNTAFNTBPGGT1BALDH1A1CYP11B1
SCHEMBL8500535 0.92 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8632868 0.90 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8632867 0.90 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486425 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486428 0.90 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8485632 0.90 ALDH1A1 (0.42) FNTAFNTBPGGT1BALDH1A1MAPT
Hydrochloric Acid SCHEMBL8635400 0.90 CYP11B1 (0.40) 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