SCHEMBL9832334

SCHEMBL9832334

COc1cc(OC)cc(-c2nc(C)c(NC(=O)c3nnn[nH]3)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ROCK1 Q13464 1/20 0.36
ALPL P05186 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL9829547 0.90 SMN1; SMN2 (0.48) MAPTPOLBKMT2AMEN1L3MBTL1
SCHEMBL9830151 0.89 MAPT (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9829923 0.87 MAPT (0.43) MAPTPOLBKMT2AMEN1L3MBTL1
SCHEMBL9830916 0.84 RAB9A (0.45) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL9833487 0.82 ALDH1A1 (0.49) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9829467 0.81 ROCK1 (0.42) MAPTPOLBKMT2AMEN1ROCK1
SCHEMBL9831900 0.80 CYP1A1 (0.45) MAPTROCK1TP53ADORA3
SCHEMBL9829758 0.80 SMN1; SMN2 (0.51) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9830211 0.74 KDM4E (0.46) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9832312 0.72 ROCK1 (0.51) MAPTPOLBKMT2AMEN1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254856-B1 PYRIDINETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed