SCHEMBL11709348

SCHEMBL11709348

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.70
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
TP53 P04637 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPK1 P28482 1/20 0.68
HTT P42858 2/20 0.66
SLC22A1 O15245 2/20 0.52
ALDH1A1 P00352 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
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC22A2 O15244 1/20 0.48
CYP1A2 P05177 1/20 0.46
PSMD14 O00487 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 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
SCHEMBL333315 1.00 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL28349507 1.00 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL16594358 1.00 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL16594023 1.00 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL423844 1.00 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL2059991 0.98 MEN1 (0.71) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL5085145 0.98 DNM1 (0.71) DNM1MEN1KMT2ATP53SMN1; SMN2
Iodide SCHEMBL5088083 0.98 DNM1 (0.68) DNM1MEN1KMT2ATP53SMN1; SMN2
Iodide SCHEMBL5091697 0.98 DNM1 (0.68) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL5091865 0.98 DNM1 (0.71) DNM1MEN1KMT2ATP53SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041033-A ANTIMICROBIALS, ESPECIALLY IN SKIN CLEANSING DETERGENTS, SHAMPOOS, HAIR DRESSINGS COLGATE-PALMOLIVE COMPANY (US) 1977-08-09 US disclosed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed
US-3966928-A HAIR AND SKIN CONDITIONERS COLGATE-PALMOLIVE COMPANY (US) 1976-06-29 US disclosed