SCHEMBL3861928

SCHEMBL3861928

CC(=O)Oc1ccc(C=Cc2ccc3ccc(C#N)c(OC(C)=O)c3n2)cc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ LMNA P02545 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PIM1 P11309 4/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ NFKB1 P19838 2/20 0.41
▸ JUN P05412 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ ALOX5 P09917 2/20 0.40
▸ AGTR1 P30556 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL3859264 0.80 KMT2A (0.70) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL12280667 0.75 KMT2A (0.66) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL3861931 0.74 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL3862150 0.74 GLA (0.67) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL12281794 0.69 KMT2A (0.73) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL4710987 0.68 JUN (0.59) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL4710988 0.68 JUN (0.59) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL12280671 0.68 KMT2A (0.64) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL4936010 0.67 PIM1 (0.57) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL16421474 0.67 ALDH1A1 (0.50) RAB9AHPGDSMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975597-B1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2009-09-02 — — EP disclosed
US-6670377-B1 Inhibitory properties of human immunodeficiency virus integrase CENTRE NATIONAL DE LA RECHERCHE (FR) 2003-12-30 — — US disclosed
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