Sugi Predict

Sugi Predict / Compounds / SCHEMBL11380835

SCHEMBL11380835

SCHEMBL11380835

N#CCCN(CCO)CCN(CCO)CCC#N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL64977 0.97 LCK (0.50) LCKALDH1A1TDP1KDM4EMAPT
SCHEMBL65324 0.97 LCK (0.50) LCKALDH1A1TDP1KDM4EMAPT
Boric Acid SCHEMBL28584646 0.90 LCK (0.45) LCKALDH1A1TDP1
SCHEMBL3429422 0.88 LCK (0.54) LCKALDH1A1TDP1
Sulfuric Acid SCHEMBL10825745 0.86 LCK (0.42) LCKALDH1A1
SCHEMBL14228511 0.86 LCK (0.69) LCK
SCHEMBL714439 0.86 LCK (0.59) LCKALDH1A1TDP1
SCHEMBL14590390 0.86 LCK (0.59) LCKALDH1A1TDP1
SCHEMBL18392085 0.83 CYP1A2 (0.45) LCKALDH1A1TDP1MAPT
SCHEMBL65032 0.83 LCK (0.62) LCKALDH1A1TDP1

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-4284775-A 1,4-Diazabicyclooctane di-N,N'-quaternized compounds THE UPJOHN COMPANY (US) 1981-08-18 — — US disclosed
US-4216322-A Process for making triethylene diamines THE UPJOHN COMPANY (US) 1980-08-05 — — US disclosed