SCHEMBL11182249

SCHEMBL11182249

COc1ccc(NCC(C)Nc2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
GAA P10253 7/20 0.57
L3MBTL1 Q9Y468 5/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 7/20 0.51
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSK P43235 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL11173698 0.82 ALDH1A1 (0.55) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL16671107 0.82 MAPT (0.63) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL3145055 0.82 MAPT (0.53) MAPTGAAL3MBTL1MAPK1MEN1
Ammonia Solution, Strong SCHEMBL6698890 0.81 MAPT (0.61) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL11532725 0.81 ALDH1A1 (0.72) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL20632768 0.81 ALDH1A1 (0.72) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL3011500 0.79 MAPT (0.59) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL29008517 0.79 MAPT (0.54) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL28367079 0.79 MAPT (0.61) MAPTGAAL3MBTL1MAPK1MEN1
SCHEMBL11527791 0.79 ALDH1A1 (0.58) MAPTGAAL3MBTL1MAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369325-A ANTIPHLOGISTIC AND DIURETIC ACTIVITY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-01-18 US disclosed
US-4284642-A DIURETICS, ANTIPHLOGISTICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-08-18 US disclosed