SCHEMBL28958894

SCHEMBL28958894

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.Clc1ccc([Mo])cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ APP P05067 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL28449186 0.82 STAT3 (0.33) STAT3STAT1MAPK1HPGDSMN1; SMN2
SCHEMBL28886041 0.82 STAT3 (0.33) STAT3STAT1
SCHEMBL27999719 0.82 STAT3 (0.33) STAT3STAT1MAPK1HPGDSMN1; SMN2
SCHEMBL28465529 0.82 STAT3 (0.33) STAT3STAT1MAPK1HPGDSMN1; SMN2
SCHEMBL27953799 0.81 STAT3 (0.32) STAT3STAT1MAPK1HPGDSMN1; SMN2
SCHEMBL27957251 0.81 STAT3 (0.32) STAT3STAT1MAPK1HPGDSMN1; SMN2
SCHEMBL6517023 0.80 STAT3 (0.42) STAT3STAT1
SCHEMBL29430977 0.80 STAT3 (0.42) STAT3STAT1
SCHEMBL9430673 0.80 STAT3 (0.42) STAT3STAT1
SCHEMBL6744970 0.80 STAT3 (0.42) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197186-A Preparation method of biomass-based pyranoside derivative 中国科学院大连化学物理研究所 2022-10-18 — — CN claimed
CN-115197186-B Preparation method of biomass-based pyranoside derivative 中科催化新技术(大连)股份有限公司 2024-04-16 — — CN disclosed
CN-115197186-A Preparation method of biomass-based pyranoside derivative 中国科学院大连化学物理研究所 2022-10-18 — — CN disclosed
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