SCHEMBL5293033

SCHEMBL5293033

CCCCCCCCCCCCCCCCCC[n+]1ccccc1C(C)CCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.49
HTT P42858 7/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
RAD52 P43351 3/20 0.49
HSP90AA1 P07900 2/20 0.49
RGS12 O14924 1/20 0.49
USP2 O75604 1/20 0.49
THRB P10828 1/20 0.49
MCL1 Q07820 1/20 0.49
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5299835 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5295002 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5288424 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5291751 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5285276 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5301081 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5295673 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5304124 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5300248 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL5287023 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9AKMT2A

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 1 patent. 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