SCHEMBL17593165

SCHEMBL17593165

O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 4/20 0.49
▸ ADRB2 P07550 10/20 0.48
▸ ADRB1 P08588 10/20 0.48
▸ ADRB3 P13945 8/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL17593148 0.89 ADRB2 (0.44) TRIM24ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL17592991 0.78 LMNA (0.38) TRIM24ADRB2ADRB1SMN1; SMN2POLB
SCHEMBL17593268 0.72 MAPT (0.51) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL3505126 0.68 PKM (0.61) TRIM24SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14756785 0.67 TRIM24 (0.83) TRIM24ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL12783378 0.66 HPGD (0.58) ADRB2ADRB1ADRB3SMN1; SMN2MAPT
SCHEMBL12783164 0.66 SCN3A (0.84) ADRB2ADRB1ADRB3SMN1; SMN2MAPT
SCHEMBL12783504 0.66 SCN3A (0.67) ADRB2ADRB1ADRB3
SCHEMBL17593242 0.65 PHGDH (0.70) SMN1; SMN2POLBKMT2AMEN1
SCHEMBL11947873 0.65 SCN3A (0.59) —

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-2016040449-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2016-03-17 — — WO disclosed
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