SCHEMBL7976375

SCHEMBL7976375

N#CN/C(=N/c1ccncc1)NCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.58
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.50
TUBB P07437 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
CES1 P23141 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
SCHEMBL8195019 1.00 NAMPT (0.58) NAMPTHTTALDH1A1TUBBTDP1
SCHEMBL8220319 0.82 LMNA (0.47) NAMPTHTTALDH1A1TDP1
SCHEMBL7978261 0.81 NAMPT (0.55) NAMPT
SCHEMBL7979965 0.80 NAMPT (0.45) NAMPTHTTALDH1A1TUBB
SCHEMBL14322992 0.76 NAMPT (0.49) NAMPTALDH1A1
SCHEMBL8195014 0.76 HTT (0.54) NAMPTHTTALDH1A1TDP1CES1
SCHEMBL8195508 0.76 HTT (0.54) NAMPTHTTALDH1A1TDP1CES1
SCHEMBL12335073 0.75 NAMPT (0.93) NAMPTHTTALDH1A1
SCHEMBL7978003 0.75 NAMPT (0.46) NAMPTALDH1A1
SCHEMBL7978005 0.75 NAMPT (0.46) NAMPTALDH1A1

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-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US claimed
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed