SCHEMBL9200853

SCHEMBL9200853

Oc1nc(O)c2c(O)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MAPT P10636 8/20 0.42
GAA P10253 6/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCL1 Q07820 2/20 0.40
MEN1 O00255 1/20 0.40
DNMT1 P26358 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALOX15 P16050 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL17866953 0.79 ELANE (0.44) ACHEMAPTGAAKMT2AALDH1A1
SCHEMBL29487399 0.79 PDPK1 (0.39) ACHEMAPTGAAKMT2AALDH1A1
SCHEMBL30808346 0.79 ACHE (0.34) ACHEMAPTGAAKMT2AALDH1A1
SCHEMBL9319451 0.75 ALDH1A1 (0.47) ACHEMAPTGAAKMT2AALDH1A1
SCHEMBL16011941 0.75 ALDH1A1 (0.53) ACHEMAPTKMT2AALDH1A1RAB9A
SCHEMBL28749588 0.75 ELANE (0.36) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL482752 0.74 ACHE (0.46) ACHEMAPTGAAKMT2AALDH1A1
SCHEMBL26616704 0.72 GPR35 (0.48) MAPTKMT2AALDH1A1NPSR1MEN1
SCHEMBL27248935 0.71 KCNH2 (0.38) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL27248729 0.71 TLR8 (0.40) ACHEMAPTKMT2AALDH1A1MEN1

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
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed