SCHEMBL4898779

SCHEMBL4898779

CCCCN(CCCC)c1ccc(C=NC2CCCCC2N=Cc2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 4/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
RAB9A P51151 3/20 0.39
AR P10275 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4898777 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EGAACHRM2CHRM4
SCHEMBL4902366 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL4902361 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL4893965 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL4893970 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL4899573 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EGAACHRM2CHRM4
SCHEMBL4899577 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EGAACHRM2CHRM4
SCHEMBL9915629 0.72 CHRM2 (0.60) ALDH1A1KDM4ECHRM2CHRM4CHRM5
SCHEMBL3045310 0.72 CHRM2 (0.60) ALDH1A1KDM4ECHRM2CHRM4CHRM5
SCHEMBL3045309 0.72 CHRM2 (0.60) ALDH1A1KDM4ECHRM2CHRM4CHRM5

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