SCHEMBL496602

SCHEMBL496602

COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(NS(=O)(=O)c5cccs5)cc4)nn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
PPARG P37231 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL496653 0.93 MAPT (0.50) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL496642 0.85 MAPT (0.57) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL496124 0.85 MAPT (0.53) MAPTKDM4ESMN1; SMN2HTTRAB9A
SCHEMBL2024771 0.84 MAPT (0.69) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL496817 0.83 MAPT (0.51) MAPTSMN1; SMN2HTTRAB9ALMNA
SCHEMBL2030793 0.83 MAPT (0.67) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL496565 0.81 MAPT (0.48) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2031525 0.81 MAPT (0.65) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2027232 0.81 MAPT (0.67) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL496875 0.81 ENPP3 (0.64) MAPTSMN1; SMN2RAB9ALMNANPC1

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
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP claimed
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US claimed
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US disclosed