SCHEMBL5701028

SCHEMBL5701028

COC(=O)CC(NC(=O)c1cccs1)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 4/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL5701021 1.00 MAPT (0.50) MAPTMEN1KMT2ALMNAGFER
SCHEMBL5700932 0.81 MEN1 (0.60) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5700925 0.81 MEN1 (0.60) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5700869 0.78 KMT2A (0.44) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5700864 0.78 KMT2A (0.44) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5701002 0.77 MAPT (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5700999 0.77 MAPT (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4029008 0.75 TSHR (0.41) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL4029006 0.75 TSHR (0.41) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL5700880 0.75 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2GAA

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-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed