SCHEMBL25028124

SCHEMBL25028124

O=[N+]([O-])c1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)nc4s3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ NQO2 P16083 1/20 0.46
▸ APP P05067 2/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ MGAM O43451 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ SI P14410 3/20 0.44
▸ MGAM2 Q2M2H8 3/20 0.44
▸ BRAF P15056 1/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL25028059 0.83 MMP2 (0.53) MAPTNQO2APPMEN1KMT2A
SCHEMBL13801090 0.82 APP (0.61) MAPTAPPMEN1KMT2AMMP2
SCHEMBL3361349 0.82 MAPT (0.64) MAPTNQO2APPMEN1KMT2A
SCHEMBL25028187 0.78 MMP2 (0.46) MAPTMEN1KMT2AMMP2MMP9
SCHEMBL25028051 0.76 ALDH1A1 (0.41) MAPTNQO2MEN1KMT2AMGAM
SCHEMBL29273189 0.75 KMT2A (0.60) MAPTNQO2MEN1KMT2ANPC1
SCHEMBL27632460 0.72 MAPT (0.57) MAPTNQO2APPMEN1KMT2A
SCHEMBL19926009 0.70 MAPT (0.55) MAPTNQO2APPMEN1KMT2A
SCHEMBL6734270 0.70 MAPT (0.55) MAPTNQO2APPMEN1KMT2A
SCHEMBL2615714 0.70 MAPT (0.55) MAPTNQO2MEN1KMT2ABRAF

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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