SCHEMBL21433102

SCHEMBL21433102

CC(=O)Nc1cccc2ccc(N=Nc3ccccc3C)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ SIGMAR1 Q99720 3/20 0.40
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL3201580 0.99 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL28836945 0.86 MAPT (0.53) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL2742451 0.82 ENPP2 (0.46) ALDH1A1HPGDMAPTNPC1HTT
SCHEMBL8170889 0.82 MAPT (0.48) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL16220629 0.80 ENPP2 (0.51) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL5313133 0.78 HPGD (0.57) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL23259385 0.73 KMT2A (0.64) ALDH1A1HPGDMAPTNPC1HTT
SCHEMBL26104727 0.73 KMT2A (0.64) ALDH1A1HPGDMAPTNPC1HTT
SCHEMBL6863187 0.72 MAPT (0.40) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL16624634 0.72 NPC1 (0.50) HPGDMAPTNPC1HTTKMT2A

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
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP claimed
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