SCHEMBL7007434

SCHEMBL7007434

c1ccc(-c2csc(-n3ccnc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 3/20 0.56
ALOX15 P16050 1/20 0.56
CYP11B1 P15538 5/20 0.55
CYP11B2 P19099 5/20 0.55
NPSR1 Q6W5P4 3/20 0.49
USP2 O75604 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 4/20 0.49
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
CYP19A1 P11511 1/20 0.41
PIM1 P11309 1/20 0.41
CYP17A1 P05093 3/20 0.41
IDO1 P14902 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL7014691 0.80 CYP11B1 (0.42) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL27958208 0.72 CYP11B1 (0.54) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL6660795 0.72 MEN1 (1.00) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL4865755 0.71 MEN1 (0.71) MEN1KMT2ATSHRALOX15CYP11B1
Water SCHEMBL6337291 0.70 MEN1 (0.96) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL7644186 0.68 CYP3A4 (0.48) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL6471796 0.68 ADH5 (0.63) MEN1KMT2ATSHRALOX15CYP3A4
SCHEMBL27590600 0.67 CYP3A4 (0.47) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL14699584 0.67 MEN1 (0.50) MEN1KMT2ATSHRALOX15CYP11B1
SCHEMBL28061806 0.67 CYP3A4 (0.50) MEN1KMT2ATSHRALOX15CYP11B1

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-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP disclosed