SCHEMBL28775880

SCHEMBL28775880

NNCC(=O)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ MAOA P21397 8/20 0.35
▸ MAOB P27338 8/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ AGTR1 P30556 2/20 0.34

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
SCHEMBL12216291 0.78 HPGD (0.62) HPGDCYP3A4SMN1; SMN2KDM4EMEN1
SCHEMBL23861281 0.77 BLM (0.59) HPGDCYP3A4KDM4EMAPTMAPK1
SCHEMBL6564590 0.76 MPO (0.58) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL1720404 0.76 TDP1 (0.36) HPGDCYP3A4SMN1; SMN2KDM4EMEN1
Bromide SCHEMBL11646455 0.75 MEN1 (0.49) HPGDCYP3A4SMN1; SMN2KDM4EMEN1
SCHEMBL27580894 0.75 GSK3B (0.59) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL5187858 0.75 KMT2A (0.42) HPGDCYP3A4SMN1; SMN2KDM4EMEN1
SCHEMBL27603702 0.74 KMT2A (0.50) HPGDCYP3A4SMN1; SMN2KDM4EMEN1
SCHEMBL5698143 0.73 ALDH1A1 (0.59) HPGDCYP3A4SMN1; SMN2KDM4EMEN1
SCHEMBL8423239 0.73 TDP1 (0.37) HPGDCYP3A4SMN1; SMN2KDM4EMEN1

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-100427203-C Hydroxylamine type chelate adsorption resin and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY (CN) 2008-10-22 — — CN claimed
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