SCHEMBL7220907

SCHEMBL7220907

COc1ccc(C(=O)Cc2ccccc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PDE4D Q08499 1/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL1515747 0.86 NPC1 (0.63) MAPTNPC1RAB9ASMN1; SMN2PDE4D
SCHEMBL11251033 0.84 MAPT (0.50) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6204532 0.84 TAS1R3 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL28616902 0.84 NPC1 (0.59) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29822736 0.84 NPC1 (0.59) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6575456 0.84 GAA (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6170212 0.83 LMNA (0.49) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1515704 0.82 HTT (0.62) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL7217060 0.81 PTGS1 (0.52) NPC1PDE4DALDH1A1KMT2AHTT
SCHEMBL1515720 0.81 MAPT (0.66) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP disclosed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP disclosed