SCHEMBL8890777

SCHEMBL8890777

CC[C@H](C)NC(=O)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL8890772 1.00 HSPA5 (0.49) HSPA5MEN1KMT2APKMSMN1; SMN2
SCHEMBL12724861 0.83 HSPA5 (0.53) HSPA5KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL1509747 0.79 HSPA5 (0.50) HSPA5MEN1KMT2ARAB9AALDH1A1
SCHEMBL27558441 0.79 HSPA5 (0.50) HSPA5MEN1KMT2ARAB9AALDH1A1
SCHEMBL11142669 0.76 HSPA5 (0.48) HSPA5KMT2ARAB9ANPC1FPR2
SCHEMBL2428932 0.76 NPC1 (0.45) HSPA5KMT2ARAB9AALDH1A1HTT
SCHEMBL11252147 0.75 PRMT5 (0.47) HSPA5MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6663162 0.73 NPC1 (0.42) HSPA5KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL1822218 0.73
SCHEMBL1857157 0.73

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-1997005126-A1 MUPIROCINSULFAMATES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-02-13 WO disclosed