SCHEMBL29093857

SCHEMBL29093857

C=CCCCn1c(=O)ncc2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 7/20 0.40
▸ MAT2A P31153 2/20 0.40
▸ TMEM97 Q5BJF2 4/20 0.35
▸ NUDT1 P36639 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CCR9 P51686 1/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL29093829 0.84 KMO (0.39) KMOSIK1SIK2SIK3SMN1; SMN2
SCHEMBL29093861 0.84 BTK (0.40) KMOHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29093832 0.84 HTR2A (0.34) SIK1SIK2SIK3SMN1; SMN2ALDH1A1
SCHEMBL29094008 0.81 TLR8 (0.37) KMOSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL29094002 0.76 PGR (0.38) KMOHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29094009 0.76 KMO (0.40) KMOCCR9HTTSMN1; SMN2KDM4E
SCHEMBL29093827 0.76 BTK (0.41) KMOHTTSMN1; SMN2ALDH1A1
SCHEMBL29093852 0.76 HTR2A (0.35) —
SCHEMBL15283315 0.73 TMEM97 (0.63) TMEM97SMN1; SMN2
SCHEMBL29093828 0.73 HDAC1 (0.39) KMOMAT2AKDM4EALDH1A1

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-115572300-A Synthesis method of sulfonamide substituted polycyclic quinazolinone compound 江苏理工学院 2023-01-06 — — CN disclosed
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