SCHEMBL1120589

SCHEMBL1120589

CCOC(=O)CNNc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 3/20 0.52
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.44
MEN1 O00255 3/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
AGTR1 P30556 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL1120545 0.87 GAA (0.57) GAASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL27558574 0.84 KMT2A (0.54) GAASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL657243 0.83 KDM4E (0.64) GAASMN1; SMN2ALDH1A1TDP1HTT
Hydrochloric Acid SCHEMBL11536222 0.82 MAPT (0.65) GAASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL1120688 0.82 MAPT (0.59) GAASMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL1120410 0.82 SMN1; SMN2 (0.54) GAASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL5411982 0.77 POLB (0.62) GAASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL1503956 0.75 TSHR (0.69) GAASMN1; SMN2ALDH1A1TDP1MAPT
SCHEMBL1120518 0.75 GAA (0.53) GAASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL10898232 0.74 MEN1 (0.72) GAASMN1; SMN2ALDH1A1TDP1KDM4E

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
CN-104395312-B The Spirocyclic derivatives of 4,5-dihydro-pyrazolo [3,4-c] pyridin-2-ones, its preparation method and application SICHUAN HAISCO PHARMACEUTICAL CO.,LTD. (CN) 2016-04-27 CN disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed