SCHEMBL9815029

SCHEMBL9815029

O=C(CCO)Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
USP2 O75604 1/20 0.50
TRPV1 Q8NER1 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL9815026 0.91 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL9815043 0.86 CYP1A2 (0.57) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL8579316 0.82 TERT (0.57) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL9815030 0.81 EP300 (0.60) ALDH1A1KDM4EGAASMN1; SMN2CYP1A2
SCHEMBL9815992 0.81 CYP1A2 (0.49) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL28140458 0.78 KDM4E (0.72) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL1566759 0.78 KDM4E (0.62) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL8655906 0.78 KDM4E (0.62) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL5907677 0.78 SMN1; SMN2 (0.50) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL8613334 0.77 HDAC1 (0.51) KDM4ESMN1; SMN2HDAC1HDAC7HDAC8

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-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed