SCHEMBL11686339

SCHEMBL11686339

CCn1nc(CCC(=O)O)cc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NR1H4 Q96RI1 1/20 0.42
RXRA P19793 7/20 0.39
RXRB P28702 7/20 0.39
RXRG P48443 7/20 0.39
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL691703 0.83 MAPT (0.42) L3MBTL1GAAALDH1A1KDM4EADORA2A
SCHEMBL1292982 0.79 ADORA2A (0.40) ADORA2AADORA2B
SCHEMBL28289187 0.77 KDM4E (0.46) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL1292978 0.74 ADORA2A (0.42) L3MBTL1ALDH1A1ADORA2AADORA2B
SCHEMBL13870748 0.74 MTNR1A (0.39) ALDH1A1KDM4EADORA2AADORA2B
SCHEMBL11691084 0.74 ADORA2A (0.45) L3MBTL1GAAKDM4ENPC1RAB9A
SCHEMBL3345426 0.73 L3MBTL1 (0.38) L3MBTL1NR1H4RXRARXRBRXRG
SCHEMBL25303381 0.70 KDM4E (0.51) L3MBTL1GAANPSR1ALDH1A1KDM4E
SCHEMBL14319133 0.70 NR1H4 (0.51) L3MBTL1NR1H4RXRARXRBRXRG
Hydrochloric Acid SCHEMBL30000923 0.70 NR1H4 (0.51) L3MBTL1NR1H4RXRARXRBRXRG

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-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed