SCHEMBL27103194

SCHEMBL27103194

CNC(=O)C1CCC(Oc2cccc3nc(C)c(C)c(N)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ KAT2B Q92831 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ ACSL1 P33121 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 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
SCHEMBL14704932 0.90 JAK2 (0.39) JAK2KAT2BBAZ2BRXFP1MCHR1
SCHEMBL10257621 0.90 JAK2 (0.39) JAK2KAT2BBAZ2BRXFP1MCHR1
SCHEMBL618558 0.79 HPGD (0.39) JAK2PDGFRBHPGDFGFR1KDR
SCHEMBL10257797 0.79 JAK2 (0.38) JAK2RXFP1ACSL1HPGDKDM4E
SCHEMBL620978 0.77 KDM4E (0.49) HPGDSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL17740924 0.76 SMYD3 (0.39) JAK2PDGFRBHPGDFGFR1KDR
SCHEMBL17740882 0.75 KMT2A (0.40) MCHR1PDGFRBFGFR1KDRRAB9A
SCHEMBL17740881 0.75 KMT2A (0.40) MCHR1PDGFRBFGFR1KDRRAB9A
SCHEMBL21281167 0.75 MCHR1 (0.46) MCHR1PDGFRBFGFR1KDRSMN1; SMN2
SCHEMBL17730198 0.75 MCHR1 (0.46) MCHR1PDGFRBFGFR1KDRSMN1; SMN2

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
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 — — US disclosed
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