SCHEMBL7664571

SCHEMBL7664571

CN(C)C(=O)Nc1scc(SCc2ccc(Cl)cc2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.48
PTPRG P23470 1/20 0.45
TSHR P16473 2/20 0.42
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK8 P45983 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 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
SCHEMBL7542204 0.90 MAPK8 (0.39) NTRK1ALDH1A1MEN1KMT2AMAPK8
SCHEMBL7545477 0.88 PTPRC (0.44) NTRK1ALDH1A1MEN1KMT2AMAPK8
SCHEMBL7655178 0.87 PTPRC (0.49) NTRK1PTPRGALDH1A1MEN1KMT2A
SCHEMBL7550361 0.87 MAPK8 (0.43) ALDH1A1MEN1KMT2ATDP1MAPK8
SCHEMBL7539246 0.86 NTRK1 (0.41) NTRK1ALDH1A1MEN1KMT2AMAPK8
SCHEMBL7565785 0.86 NTRK1 (0.41) NTRK1PTPRGICAM1SELEALDH1A1
SCHEMBL7541519 0.86 MAPK8 (0.42) MAPK8LMNAHTTMAPTHPGD
SCHEMBL7542984 0.86 NTRK1 (0.35) NTRK1PTPRGALDH1A1HPGD
SCHEMBL7663521 0.83 NTRK1 (0.45) NTRK1PTPRGTSHRALDH1A1MEN1
SCHEMBL7540773 0.83 MAPK8 (0.39) NTRK1ALDH1A1MEN1KMT2AMAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US claimed
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US disclosed