SCHEMBL7741236

SCHEMBL7741236

CS(=O)(=O)NCCNc1ccc(F)cc1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC3 O15379 2/20 0.43
TDO2 P48775 2/20 0.42
PRSS1 P07477 2/20 0.40
KDM4D Q6B0I6 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPK8 P45983 1/20 0.38
LMNA P02545 1/20 0.37
PTGER4 P35408 1/20 0.37
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 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
SCHEMBL7740431 0.78 POLB (0.45) GAAMAPTPOLBSMN1; SMN2PKM
SCHEMBL4821940 0.74 MAPT (0.53) GAAMAPTPOLBSMN1; SMN2PKM
SCHEMBL4824434 0.74 MAPT (0.47) GAAMAPTPOLBSMN1; SMN2PKM
SCHEMBL5017658 0.74 HDAC1 (0.47) HDAC1HDAC3PRSS1HDAC2NCOR2
SCHEMBL4054487 0.74 HDAC1 (0.44) HDAC1HDAC3PRSS1HDAC2NCOR2
SCHEMBL2447012 0.74 MAPT (0.44) GAAMAPTPOLBSMN1; SMN2PKM
SCHEMBL4081482 0.73 ALDH1A1 (0.54) GAAMAPTHDAC1HDAC3PRSS1
SCHEMBL30829688 0.73 ALDH1A1 (0.54) GAAMAPTHDAC1HDAC3PRSS1
SCHEMBL7740540 0.73 HDAC1 (0.41) HDAC1HDAC3PRSS1HDAC2NCOR2
SCHEMBL12943716 0.73 PTGER4 (0.60) GAAMAPTSMN1; SMN2HDAC1HDAC3

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