SCHEMBL6688847

SCHEMBL6688847

O=C(O)CC1=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC1=N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ AKR1B1 P15121 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ PTGDR2 Q9Y5Y4 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ NR4A3 Q92570 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 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
SCHEMBL2517442 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL27979361 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL28807262 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14562749 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7996476 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL28180007 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3280584 0.77 LMNA (0.44) PTGS1GAAABCC4LMNATSHR
SCHEMBL25394857 0.76 NPC1 (0.47) GAATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL25395879 0.76 NPC1 (0.47) GAATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL483513 0.76 NPC1 (0.47) GAATSHRKDM4EALDH1A1SMN1; SMN2

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-2004092185-A1 LUMINESCENT LANTHANIDE (III) -CHELATED DENDRITIC COMPLEXES HAVING LIGHT-HARVESTING EFFECT AND THEIR SYNTHETIC METHODS KIM HWAN-KYU (KR) 2004-10-28 — — WO disclosed
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