SCHEMBL9156652

SCHEMBL9156652

CN(C)c1ccc(C(Br)C(Br)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.75
▸ MAPK1 P28482 2/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ CYP1A2 P05177 1/20 0.75
▸ CYP3A4 P08684 1/20 0.75
▸ TSHR P16473 1/20 0.75
▸ PHLPP2 Q6ZVD8 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CRHBP P24387 2/20 0.44
▸ CRHR2 Q13324 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ APP P05067 1/20 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
SCHEMBL6558976 0.86 MAPT (1.00) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL218018 0.85 MAPT (0.78) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Phosphine SCHEMBL30201038 0.83 MAPT (0.75) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL29558993 0.83 MAPT (0.75) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Hydrogen Sulfide SCHEMBL28326954 0.83 MAPT (0.75) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
Iodide SCHEMBL10484653 0.81 MAPT (0.72) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL5528929 0.80 MAPT (0.70) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL28140093 0.80 MAPT (0.70) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL9948773 0.80 MAPT (0.70) MAPTMAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL11795354 0.78 ALDH1A1 (0.58) MAPTMAPK1L3MBTL1CYP1A2CYP3A4

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-5407783-A Thermostability, shelf life E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-04-18 — — US disclosed
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