SCHEMBL28779398

SCHEMBL28779398

Nc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1.[Zn]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.39
▸ KMT2A Q03164 10/20 0.39
▸ ALDH1A1 P00352 9/20 0.39
▸ MAPT P10636 9/20 0.39
▸ NPC1 O15118 9/20 0.39
▸ KDM4E B2RXH2 8/20 0.39
▸ SMN1; SMN2 Q16637 8/20 0.39
▸ RAB9A P51151 8/20 0.39
▸ GAA P10253 7/20 0.39
▸ GLA P06280 5/20 0.39
▸ GFER P55789 5/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ RECQL P46063 2/20 0.39
▸ HPGD P15428 7/20 0.37
▸ POLB P06746 7/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ BLM P54132 3/20 0.37
▸ NFKB1 P19838 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ PKM P14618 2/20 0.37

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
SCHEMBL8717037 0.98 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL28403827 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL28087953 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL31040337 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL28733041 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL28653203 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL28289585 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL29096714 0.97 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTNPC1
Tetrahydrofuran SCHEMBL29118233 0.88 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTNPC1
Toluene SCHEMBL28107271 0.88 STAT3 (0.40) MEN1KMT2AALDH1A1MAPTNPC1

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-116920948-B Metalloporphyrin-based bifunctional catalyst and preparation method and application thereof 山东海化集团有限公司 2023-12-29 — — CN disclosed
CN-116920948-A Metalloporphyrin-based bifunctional catalyst and preparation method and application thereof 山东海化集团有限公司 2023-10-24 — — CN disclosed
CN-114591475-A Covalent organic framework/graphene composite material and preparation method and application thereof 济南大学 2022-06-07 — — CN disclosed
Send feedback