SCHEMBL3120004

SCHEMBL3120004

CCCCC[n+]1cc[nH]c1C.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 4/20 0.35
HSP90AA1 P07900 2/20 0.35
MAPK1 P28482 2/20 0.35
RAD52 P43351 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL1701221 0.98 HTT (0.41) HTTCA1CA2KMT2AMEN1
SCHEMBL2395584 0.95 HTT (0.32) HTTCA1CA2
SCHEMBL3742673 0.93 HTT (0.42) HTTCA1CA2KMT2AMEN1
SCHEMBL363480 0.91 HTT (0.46) HTTCA1CA2KMT2AMEN1
Iodide SCHEMBL6010405 0.91 HTT (0.41) HTTCA1CA2KMT2AMEN1
SCHEMBL2328683 0.91 HTT (0.46) HTTCA1CA2KMT2AMEN1
SCHEMBL1137199 0.91 HTT (0.46) HTTCA1CA2KMT2AMEN1
SCHEMBL9902243 0.91 HTT (0.46) HTTCA1CA2KMT2AMEN1
Hydrochloric Acid SCHEMBL4377339 0.91 HTT (0.41) HTTCA1CA2KMT2AMEN1
SCHEMBL5086772 0.91 HTT (0.46) HTTCA1CA2KMT2AMEN1

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-2010025859-A2 STABILIZATION OF CELLS BY IONIC LIQUIDS UNIVERSITÄT ROSTOCK (DE) 2010-03-11 WO disclosed