SCHEMBL24197130

SCHEMBL24197130

CC(C)(C)c1cc(N)cc(-c2ncccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KIF11 P52732 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL28656155 0.86 KDM4E (0.53) KDM4EGAAMAPTKIF11POLB
SCHEMBL17546483 0.80 ADRB2 (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL14955802 0.80 ADRB2 (0.41) KDM4EMAPTPOLBNPC1RAB9A
SCHEMBL30417281 0.75 ALDH1A1 (0.50) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL22960107 0.73 MAPT (0.52) KDM4EGAAMAPTKIF11POLB
SCHEMBL30720010 0.73 MAPT (0.52) KDM4EGAAMAPTKIF11POLB
SCHEMBL22780741 0.73 MAOA (0.48) KDM4EGAAMAPTKIF11POLB
SCHEMBL14357355 0.73 KIF11 (0.61) KDM4EKIF11POLBALDH1A1KMT2A
SCHEMBL112570 0.72 POLB (0.55) KDM4EGAAMAPTPOLBNPC1
SCHEMBL2593638 0.72 POLB (0.55) KDM4EGAAMAPTPOLBNPC1

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
WO-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 WO disclosed