SCHEMBL28829581

SCHEMBL28829581

CN(C)CCCNCCNC(CCN)NCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
PAOX Q6QHF9 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CASP2 P42575 2/20 0.34
KDM4E B2RXH2 3/20 0.33
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32
CA5A P35218 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA5B Q9Y2D0 3/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL28371432 0.78 TDP1 (0.82) TDP1CYP2C19CYP2C9PAOXALDH1A1
SCHEMBL2049977 0.75 TDP1 (0.86) TDP1CYP2C19CYP2C9PAOXALDH1A1
SCHEMBL18576488 0.74 CYP2C9 (0.55) TDP1CYP2C19CYP2C9ALDH1A1KDM4E
SCHEMBL324173 0.73 TDP1 (1.00) TDP1CYP2C19CYP2C9PAOXALDH1A1
SCHEMBL5131831 0.73 TDP1 (0.71) TDP1CYP2C19CYP2C9PAOXALDH1A1
SCHEMBL18576277 0.72 TDP1 (0.78) TDP1CYP2C19CYP2C9PAOXALDH1A1
SCHEMBL7511391 0.72 TDP1 (0.86) TDP1CYP2C19CYP2C9PAOXMEN1
Ammonia Solution, Strong SCHEMBL8371427 0.72 TDP1 (0.95) TDP1CYP2C19CYP2C9PAOXALDH1A1
SCHEMBL5412336 0.72 TDP1 (0.95) TDP1CYP2C19CYP2C9PAOXMEN1
SCHEMBL8371403 0.72 TDP1 (0.95) TDP1CYP2C19CYP2C9PAOXALDH1A1

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
CN-110072905-B Curing agent for cold-curable epoxy resin adhesive having rapid curing properties SIKA技术股份公司 2022-08-30 CN disclosed