SCHEMBL4899577

SCHEMBL4899577

CCCCN(CCCC)c1ccc(C=NCCN=Cc2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 4/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MEN1 O00255 1/20 0.43
AR P10275 1/20 0.41
MAPT P10636 4/20 0.39
INSR P06213 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
HPGD P15428 2/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
GLA P06280 1/20 0.38
GFER P55789 1/20 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
SCHEMBL4899573 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EGAACHRM2
SCHEMBL5377395 0.91 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EGAACHRM2
SCHEMBL5377397 0.91 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EGAACHRM2
SCHEMBL4899121 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL4899125 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL20163323 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL18321013 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL15086509 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EGAAMEN1
SCHEMBL9915629 0.80 CHRM2 (0.60) ALDH1A1KMT2AKDM4ECHRM2CHRM4
SCHEMBL3045309 0.80 CHRM2 (0.60) ALDH1A1KMT2AKDM4ECHRM2CHRM4

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-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed