SCHEMBL25938280

SCHEMBL25938280

O=C(Cn1cnnn1)N[C@@H]1C(=O)N2C(C(O)O)=C(CSc3ccccc3)CSC12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ SLC22A6 Q4U2R8 2/20 0.58
▸ SLC22A8 Q8TCC7 2/20 0.58
▸ SLC22A11 Q9NSA0 2/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ TDP1 Q9NUW8 9/20 0.55
▸ MAPT P10636 8/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ POLB P06746 6/20 0.44
▸ ALDH1A1 P00352 3/20 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
SCHEMBL11190435 0.88 LMNA (0.73) LMNASLC22A6SLC22A8SLC22A11PTGS2
SCHEMBL11190440 0.88 LMNA (0.73) LMNASLC22A6SLC22A8SLC22A11PTGS2
SCHEMBL23051151 0.88 LMNA (0.73) LMNASLC22A6SLC22A8SLC22A11PTGS2
SCHEMBL24497311 0.83 MAPK1 (0.55) LMNASLC22A6SLC22A8SLC22A11TDP1
SCHEMBL24497236 0.78 TDP1 (0.53) LMNASLC22A6SLC22A8SLC22A11TDP1
Ceftezole SCHEMBL11033790 0.75 LMNA (0.79) LMNASLC22A6SLC22A8SLC22A11PTGS2
Ceftezole SCHEMBL11033793 0.75 LMNA (0.79) LMNASLC22A6SLC22A8SLC22A11PTGS2
Ceftezole SCHEMBL147529 0.75 LMNA (0.79) LMNASLC22A6SLC22A8SLC22A11PTGS2
Ceftezole SCHEMBL2259026 0.75 LMNA (0.78) LMNASLC22A6SLC22A8SLC22A11PTGS2
SCHEMBL11346639 0.75 LMNA (0.73) LMNASLC22A6SLC22A8SLC22A11PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147071-A9 RAPID DIAGNOSTIC TEST FOR ANTIBIOTIC RESISTANCE, AND METHODS OF USE AND METHODS OF MAKING THEREOF BIOAMP DIAGNOSTICS, INC. (US) 2024-07-11 — — WO disclosed
WO-2023147071-A1 RAPID DIAGNOSTIC TEST FOR ANTIBIOTIC RESISTANCE, AND METHODS OF USE AND METHODS OF MAKING THEREOF BIOAMP DIAGNOSTICS, INC. (US) 2023-08-03 — — WO disclosed
Send feedback