SCHEMBL5285340

SCHEMBL5285340

CCCCC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TP53 P04637 2/20 0.65
MAPK1 P28482 2/20 0.65
HTT P42858 3/20 0.62
SLC22A1 O15245 2/20 0.50
SLC22A2 O15244 1/20 0.50
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL5297044 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5305503 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5301522 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5308205 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5297131 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5292272 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5283335 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5289825 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5289745 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5282416 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed