SCHEMBL30952652

SCHEMBL30952652

CNC(=O)c1sccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.62
RXFP1 Q9HBX9 2/20 0.58
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
IKBKB O14920 1/20 0.46
PLK1 P53350 1/20 0.46
MAPK10 P53779 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL11596321 0.81 RXFP1 (0.72) BCAT2RXFP1KMT2AALDH1A1NPSR1
SCHEMBL2980845 0.80 BCAT2 (0.68) BCAT2RXFP1KMT2AALDH1A1NPSR1
SCHEMBL9121778 0.80 BCAT2 (0.72) BCAT2RXFP1KMT2AALDH1A1GABRA1
SCHEMBL1670982 0.80 BCAT2 (0.72) BCAT2RXFP1KMT2AALDH1A1NPSR1
SCHEMBL6229196 0.79 GABRA1 (0.67) BCAT2RXFP1KMT2AALDH1A1NPSR1
SCHEMBL4445671 0.77 BCAT2 (1.00) BCAT2RXFP1KMT2AALDH1A1HPGD
SCHEMBL27688626 0.76 BCAT2 (0.62) BCAT2RXFP1KMT2AALDH1A1GABRA1
Hydrochloric Acid SCHEMBL31228833 0.75 BCAT2 (0.96) BCAT2RXFP1KMT2AALDH1A1HPGD
SCHEMBL9394563 0.75 BCAT2 (0.66) BCAT2RXFP1KMT2AALDH1A1TSHR
SCHEMBL4911370 0.73 KDM4E (0.67) RXFP1KMT2AALDH1A1NPSR1HPGD

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-2024121709-A1 PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS PFIZER INC. (US) 2024-06-13 WO disclosed