SCHEMBL9815026

SCHEMBL9815026

O=C(CCCO)Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC1 Q13547 6/20 0.51
▸ HDAC7 Q8WUI4 5/20 0.51
▸ HDAC8 Q9BY41 5/20 0.51
▸ HDAC6 Q9UBN7 5/20 0.51
▸ HDAC3 O15379 5/20 0.51
▸ HDAC2 Q92769 5/20 0.51
▸ HDAC4 P56524 4/20 0.51
▸ HDAC10 Q969S8 4/20 0.51
▸ HDAC11 Q96DB2 4/20 0.51
▸ HDAC9 Q9UKV0 4/20 0.51
▸ HDAC5 Q9UQL6 4/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL9815029 0.91 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9815030 0.85 EP300 (0.60) ALDH1A1KDM4EGAASMN1; SMN2HDAC1
SCHEMBL9815043 0.84 CYP1A2 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8613334 0.80 HDAC1 (0.51) KDM4ESMN1; SMN2HDAC1HDAC7HDAC8
SCHEMBL8579316 0.80 TERT (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9815992 0.79 CYP1A2 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13972704 0.78 CYP1A2 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10113773 0.77 HDAC6 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10113508 0.77 HDAC6 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8655906 0.76 KDM4E (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E

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