SCHEMBL19436964

SCHEMBL19436964

COc1ccc(OC)c(/C=C(/C(=O)NCCN(C)C)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 6/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.42
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19436966 1.00 TLR9 (0.49) TLR9KMT2AMEN1POLBHTT
SCHEMBL19436967 0.81 TLR9 (0.59) TLR9KMT2AMEN1HTTMAPT
SCHEMBL19436965 0.81 TLR9 (0.59) TLR9KMT2AMEN1HTTMAPT
SCHEMBL12487115 0.72 TLR9 (0.58) TLR9KMT2AMEN1HTTMAPT
SCHEMBL12487118 0.72 TLR9 (0.58) TLR9KMT2AMEN1HTTMAPT
SCHEMBL2717007 0.70 TMEM97 (0.68) KMT2AMEN1POLBHTTMAPT
SCHEMBL6111089 0.69 MCHR1 (0.53) KMT2AMEN1POLBHTTMAPT
SCHEMBL6803885 0.69 MAPT (0.69) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL3543581 0.67 PRMT5 (0.59) TLR9POLBMAPTRAB9ASMN1; SMN2
SCHEMBL12094893 0.67 HDAC1 (0.58)

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-2017176930-A1 DIPHENYLACRYLIC ACID DERIVATIVES THAT PROMOTE BONE AND CARTILAGE GROWTH EMORY UNIVERSITY (US) 2017-10-12 WO claimed