SCHEMBL7740431

SCHEMBL7740431

CS(=O)(=O)NCCNc1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 4/20 0.41
GAA P10253 1/20 0.41
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6201094 0.81 MAPT (0.52) MAPTSMN1; SMN2HTTGAAALDH1A1
SCHEMBL9447751 0.81 MAPT (0.68) POLBMAPTPKMSMN1; SMN2HTT
SCHEMBL11481303 0.79 PTGS1 (0.48) POLBMAPTPKMSMN1; SMN2HTT
SCHEMBL7740716 0.79 HDAC3 (0.41) MAPTHTTGAAALDH1A1L3MBTL1
SCHEMBL9522975 0.79 POLB (0.45) POLBMAPTPKMSMN1; SMN2HTT
SCHEMBL7741236 0.78 GAA (0.46) POLBMAPTPKMSMN1; SMN2GAA
SCHEMBL29396266 0.77 KEAP1 (0.55) MAPTHTTGAAALDH1A1L3MBTL1
SCHEMBL449212 0.77 KEAP1 (0.55) MAPTHTTGAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8118011 0.76 KEAP1 (0.53) MAPTHTTGAAALDH1A1L3MBTL1
SCHEMBL7745227 0.74 MAPT (0.69) POLBMAPTPKMSMN1; SMN2HTT

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed