SCHEMBL9329669

SCHEMBL9329669

CCCCCCCC[n+]1ccc(N(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.81
KDM4A O75164 2/20 0.73
KDM2A Q9Y2K7 2/20 0.73
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55

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
SCHEMBL1108055 1.00 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL17817509 1.00 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL23016755 1.00 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
SCHEMBL17817506 1.00 CHKA (0.81) CHKAKDM4AKDM2AKMT2AMEN1
Fluoride Ion SCHEMBL21758539 0.98 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1
Bromide SCHEMBL9674556 0.98 CHKA (0.85) CHKAKDM4AKDM2AKMT2AMEN1
Bromide SCHEMBL3039129 0.98 CHKA (0.85) CHKAKDM4AKDM2AKMT2AMEN1
Hydrochloric Acid SCHEMBL6115401 0.98 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1
Hydrochloric Acid SCHEMBL9328425 0.98 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1
Water SCHEMBL8976694 0.98 CHKA (0.78) CHKAKDM4AKDM2AKMT2AMEN1

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-0398358-B1 Aluminum electroplating method MITSUBISHI PETROCHEMICAL CO (JP) 1994-03-09 EP claimed