SCHEMBL31450147

SCHEMBL31450147

CC(C)Cc1cccc2c1ncn2C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
APAF1 O14727 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA2 P47869 1/20 0.38
ASAH1 Q13510 3/20 0.36
ALOX5AP P20292 2/20 0.36
PTGER1 P34995 2/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TTK P33981 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL3865262 0.84 SMN1; SMN2 (0.39) APAF1SMN1; SMN2ASAH1LMNAEGLN1
SCHEMBL18585038 0.83 ASAH1 (0.39) SMN1; SMN2ASAH1LMNAEGLN1
SCHEMBL28578142 0.83 L3MBTL1 (0.40) GABRA1GABRB2GABRG2GABRB3GABRA2
SCHEMBL9165297 0.80 GABRA1 (0.36) GABRA1GABRB2APAF1SMN1; SMN2GABRG2
SCHEMBL14518827 0.80 GABRA1 (0.43) GABRA1GABRB2GABRG2GABRB3GABRA2
SCHEMBL13030042 0.79 GABRA1 (0.38) GABRA1GABRB2APAF1GABRG2GABRB3
SCHEMBL31450499 0.78 PTGER1 (0.35) SMN1; SMN2PTGER1LMNA
SCHEMBL31450492 0.78 HRH4 (0.35) GABRA1GABRB2LMNAEGLN1HRH4
SCHEMBL31450552 0.76 PDE3B (0.38) APAF1SMN1; SMN2LMNAEGLN1
SCHEMBL31450329 0.76 GABRA1 (0.43) GABRA1GABRB2GABRG2GABRB3GABRA2

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
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP claimed