SCHEMBL8501338

SCHEMBL8501338

CC(C)(CN(Cc1cccc(Cl)c1Cl)C(=S)Nc1cccc(Cl)c1)NC(=O)Cc1cncn1-c1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
TRPV1 Q8NER1 2/20 0.36
ANO1 Q5XXA6 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.32
ACKR3 P25106 1/20 0.32
PGGT1B P53609 2/20 0.32
ALDH1A1 P00352 1/20 0.32
EGLN2 Q96KS0 1/20 0.32

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
SCHEMBL8503537 0.93 MAPT (0.35) FNTAFNTBANO1NR2E1NPSR1
SCHEMBL8501334 0.91 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL8497694 0.90 NR2E1 (0.32) FNTAFNTBANO1NR2E1HTT
SCHEMBL8606558 0.85 FNTA (0.41) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8503532 0.84 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL8500957 0.84 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL8582438 0.83 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL8485045 0.83 FNTA (0.34) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8497691 0.82 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL8499656 0.81 FNTA (0.39) FNTAFNTBPGGT1B

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