SCHEMBL25048801

SCHEMBL25048801

COc1cc(Br)cc(C2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CHRM1 P11229 1/20 0.36
DRD2 P14416 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2A P28223 2/20 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
SCHEMBL12297786 0.92 HTR2C (0.42) HTR2CALDH1A1TSHRCHRM1DRD2
SCHEMBL22870503 0.86 HTR2C (0.46) HTR2CALDH1A1TSHRPDGFRBPDGFRA
SCHEMBL17514730 0.86 ALDH1A1 (0.50) HTR2CALDH1A1TSHRPDGFRBPDGFRA
SCHEMBL7723674 0.84 ALDH1A1 (0.48) HTR2CALDH1A1TSHRPDGFRBPDGFRA
SCHEMBL20789976 0.82 ALDH1A1 (0.50) HTR2CALDH1A1TSHRPDGFRBPDGFRA
SCHEMBL17595118 0.80 CHRM1 (0.38) HTR2CALDH1A1CHRM1MEN1KMT2A
SCHEMBL12297790 0.80 HTR2C (0.50) HTR2CALDH1A1TSHRDRD2
SCHEMBL1613815 0.78 ALDH1A1 (0.55) HTR2CALDH1A1TSHRDRD2MEN1
SCHEMBL25382518 0.78 MAPT (0.42) DRD2MEN1KMT2AMAPTPTGDR2
SCHEMBL25046750 0.77 PDE4A (0.45) HTR2CALDH1A1CHRM1MEN1KMT2A

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 WO disclosed