SCHEMBL8104268

SCHEMBL8104268

N#CCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5720397 0.83 GSK3A (0.39) SMN1; SMN2GSK3AGSK3BPOLBRECQL
SCHEMBL8113694 0.81 MAPT (0.45) NPSR1TSHRKDM4ELMNASMN1; SMN2
SCHEMBL11124513 0.80 PTGIR (0.49) MAPT
SCHEMBL8104133 0.80 PTGIR (0.49) MAPT
SCHEMBL8111700 0.80 PTGIR (0.49) MAPT
SCHEMBL8103785 0.80 PTGIR (0.49) MAPT
SCHEMBL8843851 0.80 FAAH (0.45) NPSR1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL8114676 0.80 FAAH (0.37) NPSR1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL5720217 0.78 FABP4 (0.49) KDM4ESMN1; SMN2MAPK1HSD17B10POLB
SCHEMBL8113753 0.78 TBXAS1 (0.42) KDM4ESMN1; SMN2MAPTGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP claimed
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 — — US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 — — US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 — — EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 — — EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — WO disclosed
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