SCHEMBL29955053

SCHEMBL29955053

COc1nc(C=O)cc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR1 P32246 1/20 0.34
TERT O14746 2/20 0.33
CYP2A6 P11509 1/20 0.33
PRKDC P78527 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
HTR6 P50406 1/20 0.32
PRNP P04156 1/20 0.32
ERN1 O75460 1/20 0.31

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
SCHEMBL3522137 0.87 TDP1 (0.34) APPLMNATDP1TSHRMAPT
SCHEMBL20599942 0.87 LMNA (0.50) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL18399227 0.86 ALDH1A1 (0.33) APPLMNATDP1TSHRMAPT
SCHEMBL29956166 0.76 ALDH1A1 (0.46) APPTDP1TSHRMAPTALDH1A1
SCHEMBL4976296 0.74 ALDH1A1 (0.39) LMNAMAPTKMT2AALDH1A1KDM4E
SCHEMBL29956745 0.72 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL26418162 0.70 ALDH1A1 (0.35) LMNATDP1TSHRMAPTMEN1
SCHEMBL20773114 0.70 MAPT (0.40) APPTSHRMAPTMEN1KMT2A
SCHEMBL21518219 0.70 PDE2A (0.39) APPLMNATDP1MAPTKMT2A
SCHEMBL8127634 0.70 L3MBTL1 (0.40) APPLMNATDP1MAPTALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed