SCHEMBL9148290

SCHEMBL9148290

CN(C)c1ccc(NC(=NC#N)NCCCc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
HRH2 P25021 2/20 0.41
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 3/20 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
SCHEMBL7424828 0.86 CYP3A4 (0.44) HRH4HRH2NAMPTALDH1A1CYP3A4
SCHEMBL9147554 0.84 HRH4 (0.43) HRH4HRH2NAMPTALDH1A1CYP3A4
SCHEMBL8620022 0.80 HRH4 (0.40) HRH4HRH2NAMPTALDH1A1CYP3A4
SCHEMBL9147482 0.79 BCL6 (0.53) HRH4HRH2NAMPTALDH1A1CYP3A4
SCHEMBL9148294 0.79 HRH4 (0.50) HRH4HRH2NAMPT
SCHEMBL7349710 0.75 QPCT (0.37) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL7349695 0.75 QPCT (0.37) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL7349700 0.75 QPCT (0.37) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL7353949 0.74 HRH4 (0.42) HRH4HRH2ROCK2KMT2AKDM4E
SCHEMBL7430606 0.74 POLB (0.53) HRH4HRH2SMN1; SMN2ROCK2KMT2A

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-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed