SCHEMBL30929655

SCHEMBL30929655

Cc1cccc(C(=O)NO)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 1.00
HDAC8 Q9BY41 3/20 1.00
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KCNK3 O14649 2/20 0.65
KCNK9 Q9NPC2 2/20 0.65
KCNH2 Q12809 1/20 0.65
KDM4E B2RXH2 1/20 0.62
EGLN2 Q96KS0 1/20 0.62
HDAC1 Q13547 2/20 0.60
RXFP1 Q9HBX9 1/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
PARP1 P09874 1/20 0.59

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
SCHEMBL5242529 1.00 HDAC6 (1.00) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL5389532 0.87 HDAC8 (0.75) HDAC6HDAC8MEN1KMT2AKCNK3
SCHEMBL9544991 0.86 SMN1; SMN2 (0.76) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL24931248 0.85 SMN1; SMN2 (0.89) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL11791484 0.84 HDAC8 (0.79) HDAC6HDAC8KDM4EEGLN2HDAC1
SCHEMBL82080 0.83 HDAC8 (0.71) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL31540297 0.83 HDAC8 (0.71) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL27819772 0.83 HDAC8 (0.69) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL2409358 0.82 HDAC8 (0.67) HDAC6HDAC8SMN1; SMN2MEN1KMT2A
SCHEMBL315826 0.82 HDAC8 (0.69) HDAC6HDAC8SMN1; SMN2MEN1KMT2A

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
CN-118084819-A Thiazole derivative and application thereof in treatment of leukemia 华东师范大学 2024-05-28 CN disclosed