SCHEMBL7700542

SCHEMBL7700542

Cn1cncc1C(C)(NC(=O)C1CCCN(S(=O)(=O)c2cccc(O)c2)C1)c1ccc(C#N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.36
MAPK1 P28482 1/20 0.36
CLK1 P49759 1/20 0.36
USP2 O75604 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6003297 1.00 POLB (0.43) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7698892 0.91 MAPT (0.42) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6003410 0.91 MAPT (0.42) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7241410 0.75 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL7228470 0.74 TRPV4 (0.35) KMT2AFNTAFNTBPGGT1BMAPT
Hydrochloric Acid SCHEMBL7220321 0.72 FNTA (0.41) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7736904 0.72 S1PR3 (0.42) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7736898 0.72 PKM (0.35) LMNAKMT2AALDH1A1TSHRFNTA
SCHEMBL7673750 0.70 FNTA (0.44) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7220418 0.70 ALDH1A1 (0.40) POLBLMNAALDH1A1FNTAFNTB

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-2002020015-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-03-14 WO disclosed