SCHEMBL18604116

SCHEMBL18604116

CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.64
SLC22A1 O15245 3/20 0.52
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A2 O15244 1/20 0.48
LSS P48449 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL18604191 1.00 DNM1 (0.64) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL1467595 0.94 SLC22A1 (0.59) DNM1SLC22A1ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL1714090 0.87 SLC22A1 (0.57) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL26102766 0.85 DNM1 (0.80) DNM1SLC22A1ALDH1A1TP53CYP3A4
Cyanamide SCHEMBL3301877 0.81 DNM1 (0.73) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL8852418 0.81 DNM1 (0.71) DNM1SLC22A1ALDH1A1TP53CYP3A4
Ammonia Solution, Strong SCHEMBL28069252 0.80 DNM1 (0.89) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL1842974 0.80 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332106 0.80 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332945 0.80 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4

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-10465303-B2 Producing system of reduction product KABUSHIKI KAISHA TOSHIBA (JP) 2019-11-05 US disclosed
US-20170073827-A1 PRODUCING SYSTEM OF REDUCTION PRODUCT KABUSHIKI KAISHA TOSHIBA (JP) 2017-03-16 US disclosed