SCHEMBL3862153

SCHEMBL3862153

C=C(c1ccc(OC(C)=O)c(OC(C)=O)c1)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TOP1 P11387 2/20 0.47
▸ CNR2 P34972 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3859266 0.84 ALDH1A1 (0.47) RAB9AALDH1A1GAAKDM4ETSHR
SCHEMBL9846447 0.75 TLR8 (0.51) RAB9ACNR2NPC1MAPTSMN1; SMN2
SCHEMBL3861931 0.74 ALDH1A1 (0.41) RAB9AALDH1A1GAAKDM4ETSHR
SCHEMBL3860500 0.73 HSD17B14 (0.52) RAB9AALDH1A1GAAKDM4ETSHR
SCHEMBL28605670 0.71 CNR2 (0.62) RAB9AALDH1A1GAAKDM4ETSHR
SCHEMBL28438753 0.71 HSD17B14 (0.51) RAB9ACNR2KMT2ANPC1MEN1
SCHEMBL28443611 0.71 MGAM (0.61) RAB9AALDH1A1GAAKDM4ETSHR
SCHEMBL9585344 0.71 ALOX5 (0.48) TSHRCNR2KMT2AMGAM
SCHEMBL3862150 0.70 GLA (0.67) RAB9AALDH1A1GAAKDM4EKMT2A
SCHEMBL9756946 0.70 CYSLTR2 (0.45) RAB9AALDH1A1KDM4ECNR2KMT2A

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 4 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
EP-0975597-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-02-02 — — EP disclosed
WO-1998045269-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-10-15 — — WO disclosed
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