SCHEMBL7819396

SCHEMBL7819396

N#Cc1c(-c2c(CCCSC(=N)N)[nH]c3ccccc23)[nH]c(=O)n1-c1c[nH]c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
PRKCB P05771 5/20 0.33
PRKCA P17252 5/20 0.33
PRKCE Q02156 5/20 0.33
PRKD3 O94806 4/20 0.33
PRKCG P05129 4/20 0.33
PRKCH P24723 4/20 0.33
PRKCI P41743 4/20 0.33
PRKCQ Q04759 4/20 0.33
PRKCZ Q05513 4/20 0.33
PRKCD Q05655 4/20 0.33
PRKD1 Q15139 4/20 0.33
NOS1 P29475 1/20 0.32
STAT3 P40763 1/20 0.32
MEN1 O00255 1/20 0.31
CASK O14936 1/20 0.31
CCNT1 O60563 1/20 0.31
RPS6KA5 O75582 1/20 0.31
CCNK O75909 1/20 0.31
STK10 O94804 1/20 0.31

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
SCHEMBL7826355 0.88 ALDH1A1 (0.32) IDO1STAT3MAPTPDE9A
SCHEMBL7826816 0.87 ALDH1A1 (0.33) IDO1STAT3MEN1MAPTALOX15
SCHEMBL7823271 0.86 ALDH1A1 (0.35) MEN1KMT2APDE9A
SCHEMBL7819614 0.86 MPO (0.36) STAT3CYP3A4RPS6KB1PDE9A
SCHEMBL7821934 0.85 PDE9A (0.33) CYP3A4RPS6KB1PDE9A
Trifluoroacetic Acid SCHEMBL7839584 0.83 OXER1 (0.30) MAPT
Trifluoroacetic Acid SCHEMBL7838986 0.80 SSTR4 (0.33) PDE9A
SCHEMBL7515273 0.78 NOS1 (0.35) IDO1PRKCBPRKCAPRKCEPRKD3
SCHEMBL7812318 0.75 PRKCB (0.33) PRKCBPRKCATP53MAPTPDE9A
SCHEMBL7507536 0.75 NOS1 (0.34) IDO1PRKCBPRKCAPRKCEPRKD3

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-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP claimed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO claimed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed