SCHEMBL30147455

SCHEMBL30147455

CNC(=O)c1ccc2cccn2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC2 Q92769 1/20 0.44
BRD4 O60885 4/20 0.43
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43
BRDT Q58F21 2/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK1 P53350 5/20 0.41
CA2 P00918 1/20 0.39
MMP13 P45452 1/20 0.38
ALOX15 P16050 1/20 0.38
CHRNA7 P36544 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37

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
SCHEMBL24815213 0.80 ALOX15 (0.41) HPGDSMN1; SMN2ALOX15CHRNA7BAZ2B
SCHEMBL28926127 0.79 TSHR (0.46) TSHRHTTSMN1; SMN2CA2
SCHEMBL31183046 0.79 ALOX15 (0.34) HPGDSMN1; SMN2ALOX15CHRNA7
SCHEMBL25510415 0.78 HTR1B (0.40) ALOX15CHRNA7
SCHEMBL38661799 0.77 ALOX15 (0.41) TSHRCA2ALOX15CHRNA7
SCHEMBL25139824 0.76 MAPT (0.44) HPGDTSHRHTTSMN1; SMN2ALOX15
SCHEMBL30147670 0.76 HDAC8 (0.47) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL25139593 0.76 KDM4E (0.41) TSHRALOX15CHRNA7
SCHEMBL13795590 0.75 MMP13 (0.44) HDAC8HDAC6HDAC2BRD4BRD2
SCHEMBL25515106 0.74 CHRNA7 (0.33) ALOX15CHRNA7

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-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed