SCHEMBL17486883

SCHEMBL17486883

Cn1c(=O)c2c(ncn2CC(Cn2cnc3c2c(=O)n(C)c(=O)n3C)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.76
▸ SMN1; SMN2 Q16637 4/20 0.76
▸ POLB P06746 2/20 0.72
▸ ADORA2B P29275 11/20 0.68
▸ MAPT P10636 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.61
▸ PIK3CD O00329 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ ADORA2A P29274 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ NTSR1 P30989 1/20 0.60
▸ MC3R P41968 1/20 0.60
▸ NOTUM Q6P988 1/20 0.60
▸ SIRT3 Q9NTG7 1/20 0.60
▸ GDA Q9Y2T3 1/20 0.60
▸ NR2E1 Q9Y466 1/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59

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
Isbufylline SCHEMBL678978 0.89 LMNA (0.78) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL13944619 0.88 LMNA (0.81) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL16120984 0.86 ADORA2B (0.81) LMNASMN1; SMN2POLBADORA2BMAPT
(S)-Proxyphylline SCHEMBL35570 0.86 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BMAPT
Proxyphylline SCHEMBL35569 0.86 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL17642248 0.85 LMNA (0.61) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL20161775 0.85 LMNA (0.77) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL11830512 0.85 LMNA (0.77) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL19533057 0.85 ADORA2B (0.73) LMNASMN1; SMN2POLBADORA2BMAPT
Dyphylline SCHEMBL123781 0.84 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BMAPT

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-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 — — US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 — — US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 — — US disclosed
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