SCHEMBL5777449

SCHEMBL5777449

CC(C)c1csc(C=Cc2cccc(N)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.49
CYP19A1 P11511 6/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 3/20 0.37
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
CCR4 P51679 1/20 0.35

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
SCHEMBL9260315 1.00 ALB (0.49) ALBCYP19A1MAOAMAOBNPC1
SCHEMBL8304425 0.83 ALB (0.52) ALBMAOAMAOBMAPTCCR4
SCHEMBL8304428 0.83 ALB (0.52) ALBMAOAMAOBMAPTCCR4
SCHEMBL5775275 0.83 ALB (0.52) ALBMAOANPC1KDM1A
SCHEMBL5779199 0.81 ALB (0.39) ALB
SCHEMBL8305600 0.80 ALB (0.52) ALBMAPTKDM1ACCR4
SCHEMBL8305602 0.80 ALB (0.52) ALBMAPTKDM1ACCR4
SCHEMBL5776876 0.80 ALB (0.47) ALB
SCHEMBL8306883 0.80 ALB (0.49) ALBMAPTCCR4
SCHEMBL8306885 0.80 ALB (0.49) ALBMAPTCCR4

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-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed
US-5399702-A Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP disclosed
US-5273986-A A substituted phenylalkyleneamidophenyleneethylene thiazole HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed