SCHEMBL28831124

SCHEMBL28831124

CC(C)(C)c1ccc2nc(-c3ccccc3)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GFER P55789 1/20 0.54
CASP3 P42574 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
SENP6 Q9GZR1 3/20 0.53
SENP8 Q96LD8 2/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
POLB P06746 1/20 0.53
P2RY6 Q15077 1/20 0.48
GPR119 Q8TDV5 6/20 0.48
ESR1 P03372 2/20 0.47

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
SCHEMBL29819736 1.00 HDAC6 (0.55) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14000535 0.92 HDAC6 (0.63) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12408907 0.88 HDAC6 (0.45) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2242175 0.88 NPC1 (0.65) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29819658 0.88 NPC1 (0.65) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29819557 0.88 NPC1 (0.65) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1026589 0.86 HDAC6 (0.54) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25811147 0.85 HDAC6 (0.51) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10221379 0.85 HDAC6 (0.56) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3288218 0.85 NPC1 (0.66) HDAC6NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957152-B Synthesis method of benzoxazole compound 湖南第一师范学院 2023-11-17 CN disclosed
CN-114957152-A Synthetic method of benzoxazole compound 湖南第一师范学院 2022-08-30 CN disclosed