SCHEMBL8563538

SCHEMBL8563538

O=[N+]([O-])c1[c]ccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 8/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CTSB P07858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 2/20 0.40
OPRK1 P41145 2/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL8542857 0.76 POLB (0.45) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL644469 0.73 ALDH1A1 (0.52) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL29611471 0.70 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL827685 0.70 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL29750649 0.70 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL2123769 0.70 POLB (0.54) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL4463829 0.69 MAPT (0.52) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL1100171 0.69 MAPT (0.52) POLBNCOA1NCOA3CYP1A2MAPT
SCHEMBL1099365 0.69 MAPT (0.52) POLBCYP1A2MAPTKDM4EALDH1A1
SCHEMBL4469597 0.69 MAPT (0.52) POLBNCOA1CYP1A2MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US claimed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed