SCHEMBL7935712

SCHEMBL7935712

CCC(=O)N[In](NC(=O)CC)[Zr](C1C=C(N2CCCC2)c2ccccc21)C1C=C(N2CCCC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
PSMD14 O00487 1/20 0.32
POLB P06746 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CACNA1G O43497 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31
ALOX12 P18054 1/20 0.31
ATM Q13315 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL7944845 0.82 TSHR (0.36) HTTTSHRALDH1A1MAPTPSMD14
SCHEMBL7943308 0.78 ALDH1A1 (0.35) TSHRALDH1A1MAPTKCNQ2APAF1
SCHEMBL7633071 0.76 ALDH1A1 (0.37) HTTALDH1A1MAPTPSMD14POLB
SCHEMBL7633957 0.70 ALDH1A1 (0.35) HTTTSHRALDH1A1MAPTPSMD14
SCHEMBL7935689 0.69 SIGMAR1 (0.32) TSHRALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL7935721 0.68 ALDH1A1 (0.35) TSHRALDH1A1MAPTAPAF1TDP2
SCHEMBL23982311 0.68 DRD2 (0.44) TSHRALDH1A1MAPTNPSR1LMNA
SCHEMBL7633143 0.67 ESR1 (0.33) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL2915443 0.63 APAF1 (0.41) HTTTSHRALDH1A1MAPTPOLB
SCHEMBL6910737 0.62 DRD2 (0.40) TSHRALDH1A1MAPTPSMD14NPSR1

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
WO-2001046201-A1 GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-06-28 WO disclosed