SCHEMBL23640555

SCHEMBL23640555

COc1ccc(NCC2CC3C=CC2C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 7/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23640556 0.80 KDM4E (0.48) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL24575404 0.80 KDM4E (0.48) KDM4EPOLBMAPTALDH1A1NPC1
SCHEMBL10526489 0.78 KDM4E (0.43) KDM4EALOX15GAAMAPTALDH1A1
SCHEMBL16800280 0.72 KDM4E (0.34) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL3453665 0.68 KDM1A (0.55) KDM4EPOLBALOX15ALDH1A1HPGD
SCHEMBL12204742 0.68 ACHE (0.59) KDM4EPOLBGAAMAPTALDH1A1
SCHEMBL8165902 0.68 KDM4E (0.46) KDM4EGAAALDH1A1TDP1MEN1
SCHEMBL8620807 0.68 KDM4E (0.43) KDM4EPOLBALOX15GAAMAPT
SCHEMBL15325738 0.67 ACHE (0.58) POLBGAAMAPTALDH1A1ACHE
SCHEMBL10523659 0.66 ALDH1A1 (0.43) KDM4EPOLBALOX15MAPTALDH1A1

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-20210214542-A1 NOVEL AMINE FUNCTIONALIZED POLYMERS AND METHODS OF PREPARATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-07-15 US disclosed