SCHEMBL29933950

SCHEMBL29933950

Cc1ccccc1-c1cncc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.51
MKNK2 Q9HBH9 4/20 0.51
CYP11B2 P19099 2/20 0.48
CYP11B1 P15538 1/20 0.48
DRD1 P21728 1/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
SIRT3 Q9NTG7 3/20 0.46
CTSA P10619 4/20 0.45
NR1H4 Q96RI1 1/20 0.43
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
CYP2A6 P11509 1/20 0.43
RAF1 P04049 1/20 0.43
PKMYT1 Q99640 1/20 0.43

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
SCHEMBL30108185 0.83 KDM1A (0.53) MKNK1MKNK2CYP11B2CYP11B1CHRNB4
SCHEMBL27932352 0.81 MKNK1 (0.50) MKNK1MKNK2CYP11B2CYP11B1CHRNB4
SCHEMBL3636122 0.79 NR1H4 (0.56) NR1H4BRD4
SCHEMBL5434680 0.79 HPGD (0.47) CTSA
SCHEMBL2488476 0.78 MKNK1 (0.77) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL31395151 0.78 CYP2A6 (0.54) MKNK1MKNK2CYP11B2CYP11B1DRD1
SCHEMBL6754398 0.77 MKNK1 (0.67) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL30108228 0.77 CYP2A6 (0.70) MKNK1MKNK2CYP11B2CYP11B1DRD1
SCHEMBL18618142 0.77 MKNK1 (0.47) MKNK1MKNK2CYP11B2CYP11B1DRD1
SCHEMBL29588040 0.77 MKNK1 (0.47) MKNK1MKNK2CYP11B2CYP11B1DRD1

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-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed