SCHEMBL5305013

SCHEMBL5305013

CCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 3/20 0.47
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL5293019 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5302291 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5295241 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5284781 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5301676 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Bromide SCHEMBL5086652 0.98 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5304172 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5300779 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5292348 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5301615 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1

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