SCHEMBL7979965

SCHEMBL7979965

N#CN/C(=N/c1cccc2ncccc12)NCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.45
P2RX7 Q99572 4/20 0.43
TUBB P07437 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7979968 0.81 ALDH1A1 (0.48) NAMPTP2RX7TUBBHTTPOLB
SCHEMBL7976375 0.80 NAMPT (0.58) NAMPTTUBBHTTALDH1A1
SCHEMBL8195019 0.80 NAMPT (0.58) NAMPTTUBBHTTALDH1A1
SCHEMBL7965952 0.79 P2RX7 (0.48) NAMPTP2RX7
SCHEMBL7965949 0.79 P2RX7 (0.48) NAMPTP2RX7
SCHEMBL19639350 0.64 TUBB (0.60) NAMPTTUBBHTTMEN1MAPT
SCHEMBL12335073 0.64 NAMPT (0.93) NAMPTHTTALDH1A1
SCHEMBL12335097 0.63 NAMPT (0.84) NAMPT
SCHEMBL161710 0.63 NAMPT (0.84) NAMPT
SCHEMBL8220319 0.63 LMNA (0.47) NAMPTHTTPOLBMEN1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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