SCHEMBL28599190

SCHEMBL28599190

O=C(O)Cc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ HPSE Q9Y251 2/20 0.36
▸ SGK1 O00141 1/20 0.36
▸ DGAT1 O75907 3/20 0.36
▸ SOAT1 P35610 3/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36

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
SCHEMBL31145683 0.85 RIPK1 (0.36) STAT3STAT1
SCHEMBL29358276 0.83 TOP1 (0.43) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL140683 0.83 TOP1 (0.43) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL22206775 0.83 RIPK1 (0.39) STAT3STAT1
SCHEMBL11341449 0.82 TOP1 (0.42) GAAKDM4EMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL16188274 0.82 KDM4E (0.43) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL28452941 0.82 TOP1 (0.42) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL11293563 0.82 TOP1 (0.42) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL28355123 0.82 TOP1 (0.42) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL30632112 0.82 TOP1 (0.42) GAAKDM4EMEN1ALDH1A1HPGD

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
CN-113231032-B MoS2QDs @ Zr-MOF/Co doped Fe3O4Boron isotope adsorbent and preparation method thereof 中国科学院青海盐湖研究所 2022-04-12 — — CN claimed
CN-113231032-A MoS2QDs @ Zr-MOF/Co doped Fe3O4Boron isotope adsorbent and preparation method thereof 中国科学院青海盐湖研究所 2021-08-10 — — CN claimed
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