SCHEMBL29951644

SCHEMBL29951644

Cn1c(Cl)c(C=O)c2cc(C=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.51
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 3/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A3 P47895 2/20 0.36
ALDH3A1 P30838 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL29878719 0.85 PTGER4 (0.49) PTGER4ALDH1A1NPSR1MAPTATM
SCHEMBL8505144 0.85 PTGER4 (0.49) PTGER4ALDH1A1NPSR1MAPTATM
SCHEMBL8503543 0.83 MEN1 (0.43) NPSR1MAPTATMHTTSMN1; SMN2
SCHEMBL31711447 0.80 CYP2A6 (0.53) PTGER4CYP2A6ALDH1A1MAPTMEN1
SCHEMBL2713434 0.80 CYP2A6 (0.53) PTGER4CYP2A6ALDH1A1MAPTMEN1
SCHEMBL29957009 0.80 MAPT (0.50) PTGER4ALDH1A1NPSR1MAPTHTT
SCHEMBL29374992 0.77 ALDH1A1 (0.60) ALDH1A1NPSR1MAPTATMHTT
SCHEMBL1092518 0.77 ALDH1A1 (0.60) ALDH1A1NPSR1MAPTATMHTT
SCHEMBL8504339 0.77 MAPT (0.55) NPSR1MAPTATMSMN1; SMN2MEN1
SCHEMBL1924449 0.75 NPSR1 (0.48) PTGER4ALDH1A1NPSR1MAPTATM

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