SCHEMBL27328869

SCHEMBL27328869

CSc1sc2cc(NC(C)=O)ccc2[n+]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.45
▸ PSMB8 P28062 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ G6PD P11413 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 1/20 0.39

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
SCHEMBL30924931 1.00 LDHA (0.45) LDHAPSMB8MAPTKDM4ERAB9A
SCHEMBL11515408 0.84 LDHA (0.51) LDHAPSMB8MAPTKDM4ERAB9A
SCHEMBL13646896 0.72 MAPT (0.56) LDHAPSMB8MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL11513903 0.72 INSR (0.40) LDHAPSMB8MAPTKDM4ERAB9A
SCHEMBL30924937 0.71 ALDH1A1 (0.33) MAPTRAB9AALDH1A1MEN1NPC1
SCHEMBL12301906 0.69 PIK3CA (0.37) MAPTKDM4ERAB9AALDH1A1MEN1
SCHEMBL14984199 0.69 INSR (0.65) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL12278579 0.69 LDHA (0.57) LDHAPSMB8MAPTKDM4ERAB9A
SCHEMBL4822992 0.68 MAPT (0.48) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL27328843 0.68 LMNA (0.70) LDHAMAPTKDM4ERAB9AALDH1A1

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-2024110392-A1 NEW NUCLEIC ACID BINDING COMPOUNDS AND USES bioMérieux (FR) 2024-05-30 — — WO disclosed
Send feedback