SCHEMBL29094002

SCHEMBL29094002

C=CCCCn1c(=O)ncc2cc(C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.36
▸ HTT P42858 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ BTK Q06187 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ KMO O15229 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 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
SCHEMBL29093861 0.90 BTK (0.40) PGRRORARORCRORBTLR8
SCHEMBL29093827 0.81 BTK (0.41) HTTTP53HSD17B10ALDH1A1BTK
SCHEMBL29094008 0.81 TLR8 (0.37) PGRRORARORCRORBTLR8
SCHEMBL29093829 0.76 KMO (0.39) HSD17B10ALDH1A1BTKSMN1; SMN2KMO
SCHEMBL29093824 0.76 SYK (0.33) HTTTP53HSD17B10KDM4EALDH1A1
SCHEMBL29093832 0.76 HTR2A (0.34) ALDH1A1BTKSMN1; SMN2MAPTGAA
SCHEMBL29093857 0.76 KMO (0.40) HTTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL29093834 0.76 TLR8 (0.39) TLR8KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL29094005 0.76 HTR2A (0.35) HSD17B10KDM4EALDH1A1BTKMAPT
SCHEMBL29094004 0.76 ADORA2A (0.36) HTTHSD17B10ALDH1A1SMN1; SMN2MAPT

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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