SCHEMBL8485045

SCHEMBL8485045

CCOCCCNC(=S)N(Cc1cccc(Cl)c1Cl)CC(C)(C)NC(=O)Cc1cncn1-c1ccc(C#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.34
FNTB P49356 6/20 0.34
PGGT1B P53609 5/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 6/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8485039 0.91 FNTA (0.42) FNTAFNTBPGGT1BKCNH2
SCHEMBL8492476 0.83 FNTA (0.40) FNTAFNTBPGGT1BKCNH2
SCHEMBL8501338 0.83 FNTA (0.37) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8497694 0.83 NR2E1 (0.32) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8503537 0.82 MAPT (0.35) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8610253 0.81 FNTA (0.42) FNTAFNTBPGGT1BKCNH2
SCHEMBL8498811 0.80 FNTA (0.39) FNTAFNTBPGGT1BKCNH2
SCHEMBL8495276 0.78 FNTA (0.42) FNTAFNTBPGGT1BKCNH2
SCHEMBL8494113 0.77 CYP11B1 (0.42) FNTAFNTBPGGT1B
SCHEMBL8497638 0.77 FNTA (0.40) FNTAFNTBPGGT1BKCNH2

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