SCHEMBL19258264

SCHEMBL19258264

CC/C=C/c1ccccc1NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AOC1 P19801 1/20 0.30
AOC3 Q16853 1/20 0.30
HTR2A P28223 3/20 0.30
SMPD2 O60906 1/20 0.30

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
SCHEMBL21299263 0.79 KDM4E (0.38) TDP1IDO1ALDH1A1TSHRRECQL
SCHEMBL12503862 0.79 KDM4E (0.38) TDP1IDO1ALDH1A1TSHRRECQL
SCHEMBL964992 0.75 LMNA (0.50) TDP1IDO1ALDH1A1LMNACYP3A4
SCHEMBL6880406 0.73 TDP1 (0.41) TDP1IDO1ALDH1A1LMNACYP3A4
SCHEMBL6286925 0.73 TDP1 (0.41) TDP1IDO1ALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL7804693 0.73 LMNA (0.48) TDP1IDO1ALDH1A1LMNACYP3A4
SCHEMBL17680239 0.72 CYP2C19 (0.54) ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL18046779 0.71 ALDH1A1 (0.46) ALDH1A1LMNAALOX15ALOX12RECQL
SCHEMBL11423417 0.71 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL18046775 0.71 ALDH1A1 (0.46) ALDH1A1LMNAALOX15ALOX12RECQL

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-3159350-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2020-12-16 EP disclosed
EP-3323822-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2018-05-23 EP disclosed
EP-3205658-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-08-16 EP disclosed