SCHEMBL7863728

SCHEMBL7863728

NN(C(=O)c1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 3/20 0.58
MAPK1 P28482 1/20 0.57
MEN1 O00255 1/20 0.56
GLA P06280 1/20 0.56
KMT2A Q03164 1/20 0.56
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SRD5A2 P31213 1/20 0.51
PTGS2 P35354 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48

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
Hydrochloric Acid SCHEMBL11829820 0.99 ALDH1A1 (0.58) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL27594834 0.82 HPGD (0.65) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7860477 0.81 MAPT (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL30055577 0.77 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL10949416 0.77 NPSR1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4799024 0.76 KMT2A (0.53) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7816239 0.74 SRD5A2 (0.81) ALDH1A1MAPTHPGDMAPK1CTNNB1
SCHEMBL8573730 0.74 HPGD (0.65) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL31151793 0.74 HPGD (0.65) ALDH1A1MAPTHPGDMAPK1MEN1
Piperonylic Acid SCHEMBL31119409 0.73 ALDH1A1 (1.00) ALDH1A1MAPTHPGDMAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729139-B1 Optical recording medium using formazan metal complex dye TDK CORP (JP) 2001-02-07 EP disclosed
US-5604004-A Optical recording medium using formazan metal complex dye and photo-stabilizing method TDK CORPORATION (JP) 1997-02-18 US disclosed
EP-0729139-A1 Optical recording medium using formazan metal complex dye and photo-stabilizing method TDK Corporation (JP) 1996-08-28 EP disclosed