SCHEMBL8315464

SCHEMBL8315464

N#Cc1ccc(-c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
TP53 P04637 1/20 0.38
APP P05067 2/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
CYP11B2 P19099 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL8314954 0.85 MAOB (0.44) PDE4BHRH3TP53MAOB
SCHEMBL8316989 0.83 PTGDR2 (0.38)
SCHEMBL8315862 0.83 ALOX5 (0.44) TP53MAPT
SCHEMBL8310827 0.82 PIK3CD (0.40) HRH3MAPTCYP19A1
SCHEMBL8312319 0.82 NPC1 (0.37) MAOB
SCHEMBL8312064 0.82 KDM4E (0.36) MAPT
SCHEMBL8310477 0.82 CYP11B1 (0.40) CYP11B2
Hydrochloric Acid SCHEMBL8315893 0.82 MAPT (0.38) PDE4DTP53APPMAPTCYP19A1
Hydrochloric Acid SCHEMBL8318221 0.81 CYP11B1 (0.39) CYP11B2
Hydrochloric Acid SCHEMBL8316299 0.81 LOXL2 (0.39) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553107-B1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARM INC (US) 1999-09-29 EP disclosed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 WO disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed