SCHEMBL18968675

SCHEMBL18968675

COC(=O)Cn1c(-c2cccc(C#N)c2)[n+](C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
MAPK1 P28482 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MITF O75030 4/20 0.44
HTT P42858 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
APAF1 O14727 5/20 0.39
NTSR1 P30989 2/20 0.39
HSD17B10 Q99714 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
SCHEMBL18968643 0.84 KMT2A (0.57) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968669 0.84 KMT2A (0.48) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968557 0.79 MAPK1 (0.77) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968630 0.79 MAPK1 (0.77) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968635 0.78 MAPK1 (0.50) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968586 0.77 KDM4E (0.55) KMT2AMEN1HTTLMNATP53
SCHEMBL18968673 0.76 MAPK1 (0.48) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968636 0.76 HTT (0.55) KMT2AMEN1MAPK1SMN1; SMN2MITF
SCHEMBL18968650 0.74 KDM4E (0.58) KMT2AMEN1SMN1; SMN2NPC1KDM4E
SCHEMBL18968668 0.72 HTT (0.48) KMT2AMEN1MAPK1SMN1; SMN2MITF

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-2017100525-A1 SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-15 WO disclosed