SCHEMBL29957009

SCHEMBL29957009

COc1ccc2c(c1)c(C=O)c(Cl)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGER4 P35408 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL7601817 0.83 MEN1 (0.64) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8505144 0.81 PTGER4 (0.49) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29878719 0.81 PTGER4 (0.49) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8503543 0.80 MEN1 (0.43) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL29951644 0.80 PTGER4 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1144602 0.79 KDM4E (0.53) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL25225487 0.78 KDM4E (0.50) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29360556 0.78 PTGER4 (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL24522324 0.78 PTGER4 (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7603198 0.77 ALDH1A1 (0.65) MAPTALDH1A1HPGDMEN1KMT2A

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