SCHEMBL5289501

SCHEMBL5289501

CCCCCCCCCCCCCCCCCCCN1C=CN(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
GUSB P08236 2/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
TBXAS1 P24557 1/20 0.31

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
SCHEMBL5300824 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5293766 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5325928 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5288300 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5815308 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5306238 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5289837 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5818593 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5335946 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1
SCHEMBL5333008 1.00 DNM1 (0.35) DNM1GUSBEBPSIGMAR1SPHK1

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
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 WO disclosed
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