SCHEMBL7978261

SCHEMBL7978261

N#CN/C(=N/c1ccncc1)NCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.55
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.44
EPHB4 P54760 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B2 P37059 1/20 0.43
IDH2 P48735 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SERPINE1 P05121 1/20 0.42
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42

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
SCHEMBL7976375 0.81 NAMPT (0.58) NAMPT
SCHEMBL8195019 0.81 NAMPT (0.58) NAMPT
SCHEMBL8201130 0.79 TSHR (0.46) NAMPTTSHRKMT2ANR3C1PGR
SCHEMBL8220319 0.78 LMNA (0.47) NAMPTTSHRKMT2AMAPTMEN1
SCHEMBL8201132 0.76 SERPINE1 (0.54) NAMPTTSHRKMT2AEPHB4NR3C1
SCHEMBL14322992 0.73 NAMPT (0.49) NAMPT
SCHEMBL19639260 0.73 NR3C1 (0.55) NAMPTTSHRKMT2ANR3C1PGR
SCHEMBL18947822 0.73 NAMPT (0.69) NAMPT
SCHEMBL15367064 0.73 NAMPT (0.69) NAMPT
SCHEMBL11157133 0.72 NAMPT (0.49) NAMPTMAPTLMNA

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