SCHEMBL29148792

SCHEMBL29148792

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.COc1cc([Zn])cc(OC)c1Br

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 9/20 0.39
▸ PIM1 P11309 1/20 0.32
▸ NQO2 P16083 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL29148788 0.80 AMY1A (0.43) AMY1ATP53MAPTTHRBKDM4E
SCHEMBL27971513 0.77 KDM4E (0.36) TP53MAPTKDM4EALDH1A1GAA
Methoxymethane SCHEMBL28698428 0.77 STAT3 (0.38) —
Methoxymethane SCHEMBL27581743 0.77 STAT3 (0.38) —
SCHEMBL480532 0.75 STAT3 (0.37) AMY1ANQO2MAPTKDM4EALDH1A1
SCHEMBL30497518 0.75 STAT3 (0.37) AMY1ANQO2MAPTKDM4EALDH1A1
Bromomethane SCHEMBL909355 0.75 STAT3 (0.39) —
Selenium SCHEMBL31663457 0.75 STAT3 (0.41) —
SCHEMBL164026 0.75 STAT3 (0.41) —
SCHEMBL7738107 0.75 STAT3 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164446-A Photocatalytic oxidative degradation method for polymer containing styrene structural unit 大连理工大学 2023-12-05 — — CN disclosed
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