SCHEMBL17090701

SCHEMBL17090701

N#Cc1c(Oc2ccccc2)cccc1Oc1cccc(Oc2cccc(Oc3ccccc3)c2C#N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
LTA4H P09960 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.42
DPP4 P27487 1/20 0.42
HPGD P15428 1/20 0.41
TLR8 Q9NR97 2/20 0.41
HRH1 P35367 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
SCHEMBL9746326 0.87 SMN1; SMN2 (0.54) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL10379455 0.87 TSHR (0.48) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL669346 0.86 SMN1; SMN2 (0.57) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL27930527 0.85 MAPT (0.43) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL22904171 0.85 TLR8 (0.57) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL620699 0.85 GAA (0.45) MAPTGAAPOLBKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28193306 0.85 SMN1; SMN2 (0.56) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL192392 0.85 MAPT (0.43) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL2127539 0.85 SLC6A4 (0.44) MAPTGAAPOLBKMT2AALDH1A1
SCHEMBL9745662 0.83 SMN1; SMN2 (0.58) MAPTGAAPOLBALDH1A1TSHR

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-9139696-B1 Aromatic diamines containing three ether-linked-benzonitrile moieties, polymers thereof, and methods of making the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-09-22 US disclosed