SCHEMBL5282913

SCHEMBL5282913

CCCCCCCCCCC[n+]1cc[nH]c1CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
RAD52 P43351 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPK1 P28482 2/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL902476 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5292633 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5306990 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5085956 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL4071944 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL18342039 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL17002622 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL2149021 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL18341989 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL5087442 1.00 KMT2A (0.40) KMT2AMEN1MAPTTP53CYP1A2

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