SCHEMBL9844273

SCHEMBL9844273

CCC(C)(C)NC(=N)N(C#N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.32
NAMPT P43490 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL4257835 0.84 CYP1A2 (0.40) NPSR1MAPTMEN1KMT2AKDM4E
SCHEMBL2420664 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4582110 0.67 SIGMAR1 (0.36) NPSR1MAPTL3MBTL1NPC1RAB9A
SCHEMBL4259665 0.67 KMT2A (0.40) NPSR1MAPTMEN1KMT2APKM
SCHEMBL27328209 0.66 IDO1 (0.36) NPSR1MAPTL3MBTL1RAB9AMEN1
SCHEMBL8082788 0.66
Hydrochloric Acid SCHEMBL11811732 0.65 SMN1; SMN2 (0.45) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL4516395 0.64 POLB (0.71) NPSR1MAPTL3MBTL1NPC1RAB9A
SCHEMBL437417 0.63 NPSR1 (0.41) NPSR1MAPTL3MBTL1NPC1MEN1
SCHEMBL9351758 0.63 ABCC9 (0.46) NPSR1MAPTL3MBTL1MEN1KMT2A

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
EP-0405525-A2 Novel cyanoguanidine derivatives KANEBO, LTD. (JP) 1991-01-02 EP disclosed