SCHEMBL7979968

SCHEMBL7979968

N#CN=C(NCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)Nc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
P2RX7 Q99572 2/20 0.47
NAMPT P43490 6/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
TUBB P07437 1/20 0.42
HTT P42858 1/20 0.41
CLK1 P49759 2/20 0.40
SLC40A1 Q9NP59 1/20 0.40

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
SCHEMBL7979965 0.81 NAMPT (0.45) ALDH1A1P2RX7NAMPTMEN1KMT2A
SCHEMBL14324450 0.73 NAMPT (0.59) ALDH1A1NAMPTMEN1KMT2A
SCHEMBL2458903 0.73 NAMPT (0.59) ALDH1A1NAMPTMEN1KMT2A
SCHEMBL161796 0.71 NAMPT (0.64) NAMPT
SCHEMBL6400150 0.71 P2RX7 (0.71) ALDH1A1P2RX7MEN1KMT2APABPC1
SCHEMBL6400149 0.71 P2RX7 (0.71) ALDH1A1P2RX7MEN1KMT2APABPC1
SCHEMBL7976375 0.69 NAMPT (0.58) ALDH1A1NAMPTTUBBHTT
SCHEMBL8195019 0.69 NAMPT (0.58) ALDH1A1NAMPTTUBBHTT
SCHEMBL5125750 0.69 MEN1 (0.60) ALDH1A1MEN1KMT2APABPC1EIF4H
SCHEMBL17322585 0.68 HTT (0.41) ALDH1A1NAMPTMEN1KMT2AKDM4E

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