SCHEMBL11713952

SCHEMBL11713952

[O-][n+]1c2c([n+]([O-])c3ccccc31)COC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10574223 0.78 HSD17B10 (0.41) ATMMEN1POLBCASP6KMT2A
SCHEMBL10902440 0.73 MEN1 (0.42) ATMMEN1POLBCASP6KMT2A
SCHEMBL29627789 0.73 ATM (0.63) ATMMEN1POLBCASP6KMT2A
SCHEMBL983009 0.71 ATM (0.39) ATMMEN1POLBCASP6KMT2A
SCHEMBL2855933 0.70 ATM (0.38) ATMMEN1POLBCASP6KMT2A
SCHEMBL11711595 0.69 MEN1 (0.38) ATMMEN1POLBCASP6KMT2A
SCHEMBL11860462 0.67 ALDH1A1 (0.33) MEN1POLBCASP6KMT2A
SCHEMBL11784267 0.67 TSHR (0.33) MEN1POLBCASP6KMT2A
SCHEMBL14344183 0.66 ATM (0.48) ATMMEN1POLBCASP6KMT2A
SCHEMBL10574232 0.64 ATM (0.46) ATMMEN1POLBCASP6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4060523-A BACTERIDE, ANIMAL GROWTH PROMOTERS PFIZER INC. (US) 1977-11-29 US disclosed
US-4060523-A BACTERIDE, ANIMAL GROWTH PROMOTERS PFIZER INC. (US) 1977-11-29 US disclosed
US-4012385-A Antibacterial quinoxaline 1,4-dioxides PFIZER INC. (US) 1977-03-15 US disclosed
US-3991053-A GROWTH AND FEED EFFICIENCY PROMOTERS PFIZER INC. (US) 1976-11-09 US disclosed
US-3991053-A GROWTH AND FEED EFFICIENCY PROMOTERS PFIZER INC. (US) 1976-11-09 US disclosed