SCHEMBL7014691

SCHEMBL7014691

c1ccc(-c2csc(-n3cnnc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HDAC6 Q9UBN7 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
NOTUM Q6P988 1/20 0.35
FAAH O00519 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL7007434 0.80 MEN1 (0.56) CYP11B1CYP11B2NOTUMLMNAMAPT
SCHEMBL8445207 0.72 HDAC6 (0.41) CYP11B1CYP11B2HDAC6NOTUMLMNA
SCHEMBL13989268 0.70 HTT (0.51) CYP11B1CYP11B2MAPTHTTKMT2A
SCHEMBL12841363 0.67 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3FAAH
SCHEMBL3764275 0.67 HTR1A (0.54) FAAHCYP1A2MAPK1ALDH1A1HSD17B10
SCHEMBL7915311 0.65 HSD17B1 (0.61) HDAC6CYP2C9CYP2C19ALDH1A1DYRK1A
SCHEMBL27708181 0.64 HDAC6 (0.41) CYP11B1CYP11B2HDAC6NOTUMLMNA
SCHEMBL379478 0.64 HDAC6 (0.44) CYP11B1CYP11B2HDAC6NOTUMLMNA
SCHEMBL5695918 0.63 ALDH1A1 (0.43) CYP11B1CYP11B2HDAC6NOTUMLMNA
SCHEMBL883778 0.63 ALDH1A1 (0.44) CYP11B1CYP11B2HDAC6NOTUMLMNA

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