Sugi Predict

Sugi Predict / Compounds / SCHEMBL11212686

SCHEMBL11212686

SCHEMBL11212686

CC(C)CN(CCO)CCCN

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL9640544 0.89 CYP1A2 (0.37) TDP1CYP1A2MAPK1CA12CA1
SCHEMBL28991361 0.86 KDM4E (0.32) —
SCHEMBL15556814 0.85 CHRM2 (0.42) TDP1CYP1A2MAPK1CA12CA1
SCHEMBL9460351 0.85 CHRM2 (0.42) TDP1CYP1A2MAPK1CA12CA1
SCHEMBL3427669 0.85 MAPT (0.38) MAPTCYP1A2MAPK1CA12CA1
SCHEMBL3459171 0.84 CYP1A2 (0.37) TDP1CYP1A2MAPK1CA12CA1
SCHEMBL339998 0.84 MAPT (0.45) MAPTCYP1A2MAPK1CA12CA1
SCHEMBL23742395 0.83 CYP1A2 (0.33) TDP1CYP1A2MAPK1
SCHEMBL4290820 0.83 MAPT (0.36) MAPTCYP1A2MAPK1CA12CA1
SCHEMBL11210027 0.81 MAPT (0.46) MAPTTDP1CYP1A2MAPK1CA12

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-0027209-B1 N,N-DIMETHYL-N'-ISOBUTYL-N'-BETA-HYDROXYETHYL 1,3-PROPYLENE DIAMINE, AND PROCESS FOR ITS PREPARATION Ruhrchemie Aktiengesellschaft (DE) 1983-10-12 — — EP disclosed