SCHEMBL25959720

SCHEMBL25959720

COc1ccc(Cl)c(F)c1C=N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
TUBB1 Q9H4B7 2/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 4/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
NFE2L2 Q16236 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 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
SCHEMBL31395445 0.81 ERN1 (0.42) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL275497 0.81 ERN1 (0.42) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL25959726 0.77 KDM4E (0.50) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL25337943 0.77 KDM4E (0.50) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL15561272 0.76 XDH (0.40) HTR2AHTR2CHTR2BTUBB1MEN1
SCHEMBL7939404 0.76 HTR2A (0.47) HTR2AHTR2CHTR2BTUBB1MEN1
SCHEMBL23088455 0.73 TUBB1 (0.41) HTR2AHTR2CHTR2BTUBB1PTGS2
SCHEMBL34462731 0.73 VCP (0.50) ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL15594069 0.72 HTR2A (0.45) HTR2AHTR2CHTR2BTUBB1MEN1
SCHEMBL12804391 0.71 HTR2A (0.44) HTR2AHTR2CHTR2BTUBB1MEN1

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
WO-2023150374-A1 INDUCERS OF KLF2 AND METHODS OF USE THEREOF RIPARIAN PHARMACEUTICALS, INC. (US) 2023-08-10 WO disclosed