SCHEMBL25289869

SCHEMBL25289869

Nc1ccc(-c2nc(-c3ccc(N)c(O)c3)nc(-c3ccc(N)c(O)c3)n2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.70
HSD17B10 Q99714 2/20 0.70
CYP3A4 P08684 1/20 0.70
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
BRD4 O60885 1/20 0.43
SNCA P37840 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 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
SCHEMBL29693507 1.00 ALOX15 (0.70) ALOX15HSD17B10CYP3A4MEN1KMT2A
SCHEMBL10865088 0.86 ALOX15 (0.57) ALOX15HSD17B10CYP3A4MEN1KMT2A
SCHEMBL105866 0.83 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4MEN1KMT2A
SCHEMBL29365557 0.83 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4MEN1KMT2A
SCHEMBL23924225 0.83 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4MEN1KMT2A
SCHEMBL29549758 0.83 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4MEN1KMT2A
Methane SCHEMBL3324869 0.80 CYP3A4 (0.94) ALOX15HSD17B10CYP3A4MEN1KMT2A
Water SCHEMBL7721550 0.80 CYP3A4 (0.94) ALOX15HSD17B10CYP3A4MEN1KMT2A
SCHEMBL20945278 0.80 ALOX15 (0.94) ALOX15HSD17B10CYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL8646655 0.80 CYP3A4 (0.94) ALOX15HSD17B10CYP3A4MEN1KMT2A

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-2023124952-A1 GREEN SOLID-PHASE SYNTHESIS METHOD FOR COVALENT ORGANIC FRAMEWORK MATERIAL 张振杰 2023-07-06 WO claimed
WO-2023124952-A1 GREEN SOLID-PHASE SYNTHESIS METHOD FOR COVALENT ORGANIC FRAMEWORK MATERIAL 张振杰 2023-07-06 WO disclosed