SCHEMBL25028059

SCHEMBL25028059

O=[N+]([O-])c1ccc(-c2ccc(-c3nc4cc5sc(-c6ccc(-c7ccc([N+](=O)[O-])cc7)o6)nc5cc4s3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.53
▸ MMP9 P14780 4/20 0.53
▸ MMP8 P22894 4/20 0.53
▸ MMP13 P45452 4/20 0.53
▸ APP P05067 2/20 0.53
▸ PDK1 Q15118 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ EIF4A1 P60842 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NQO2 P16083 1/20 0.42
▸ RORC P51449 1/20 0.42

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
SCHEMBL25028124 0.83 MAPT (0.48) MMP2MMP9MMP8MMP13APP
SCHEMBL25028313 0.80 ILK (0.49) MMP2MMP9MMP8MMP13APP
SCHEMBL25028029 0.79 APP (0.47) APPMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL3361349 0.77 MAPT (0.64) APPMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3185914 0.76 APP (0.60) MMP2MMP9MMP8MMP13APP
SCHEMBL2628260 0.76 APP (0.73) MMP2MMP9MMP8MMP13APP
SCHEMBL1996999 0.76 APP (0.73) MMP2MMP9MMP8MMP13APP
SCHEMBL8954331 0.75 APP (0.59) MMP2MMP9MMP8MMP13APP
SCHEMBL28512535 0.72 NPC1 (0.50) MMP2MMP9MMP8MMP13APP
SCHEMBL2461783 0.71 APP (0.66) MMP2MMP9MMP8MMP13APP

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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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