SCHEMBL4647110

SCHEMBL4647110

Cc1ccc(N=C(S)C=CSc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOS3 P29474 4/20 0.38
NOS1 P29475 4/20 0.38
ACHE P22303 1/20 0.37
SLC22A2 O15244 2/20 0.35
SLC22A1 O15245 2/20 0.35
SLC22A3 O75751 2/20 0.35
PLAU P00749 2/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35

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
SCHEMBL4647027 0.93 MAPT (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4646659 0.86 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4647939 0.86 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4645596 0.85 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4648033 0.85 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4646104 0.85 MAPT (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4646879 0.84 NFE2L2 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4647873 0.83 NOS3 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4077387 0.82 MEN1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3970858 0.82 MEN1 (0.43) MAPTMEN1KMT2AALDH1A1LMNA

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
EP-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed