SCHEMBL28095209

SCHEMBL28095209

Fc1cc(OCN2CCCCC2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.43
LTA4H P09960 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL3573539 0.84 HRH3 (0.59) HRH3ATML3MBTL1KDM4EHTT
SCHEMBL13033227 0.79 ATM (0.68) ATML3MBTL1KDM4ESMN1; SMN2NPSR1
SCHEMBL3163559 0.76 HRH3 (0.63) CXCR1LTA4HHRH3ATMESR1
SCHEMBL4178236 0.73 HRH3 (0.42) CXCR1LTA4HHRH3ESR1ESR2
SCHEMBL4664868 0.72 SMN1; SMN2 (0.51) LTA4HL3MBTL1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15806741 0.72 EGFR (0.42) SMN1; SMN2NSD2NSD3
SCHEMBL28095208 0.72 KDM4E (0.49) LTA4HATML3MBTL1KDM4ESMN1; SMN2
SCHEMBL538363 0.72 ALDH1A1 (0.54) CXCR1LTA4HHRH3KDM4ESMN1; SMN2
SCHEMBL17366239 0.71 NSD2 (0.41) SMN1; SMN2NSD2NSD3
SCHEMBL990744 0.71 HTT (0.41) CXCR1LTA4HHRH3ESR1ESR2

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-105873916-A Amide derivatives for GPR119 agonists 株式会社钟根堂 2016-08-17 CN disclosed