SCHEMBL3223071

SCHEMBL3223071

COc1cc2c(cc1OC)CN(C(=O)CN1CCCCC1)CC2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 4/20 0.60
NPC1 O15118 1/20 0.60
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.54
DPP8 Q6V1X1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL14996180 0.82 KMT2A (0.67) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL21255890 0.81 KMT2A (0.66) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL22196923 0.81 KMT2A (0.66) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL14980809 0.80 SMN1; SMN2 (0.57) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL14925203 0.80 POLB (0.53) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL13059438 0.80 KMT2A (0.68) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL6985977 0.78 KMT2A (0.63) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL28263863 0.78 KMT2A (0.63) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL2061703 0.78 ALDH1A1 (0.48) POLBL3MBTL1KMT2ANPC1ABCB1
SCHEMBL7333685 0.77 KMT2A (0.65) POLBL3MBTL1KMT2ANPC1ABCB1

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
US-20100029613-A1 TREATMENT AND PREVENTION OF EPILEPSY UNIVERSITY OF ROCHESTER (US) 2010-02-04 US disclosed