SCHEMBL7429088

SCHEMBL7429088

CSc1cccc(-c2csc(C(=N)NO)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.47
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
C1S P09871 3/20 0.39
PLG P00747 2/20 0.39
PLAT P00750 2/20 0.39
PRSS1 P07477 2/20 0.39
PLAU P00749 2/20 0.39
IDO1 P14902 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7437048 0.83 ATP4A (0.51) HDAC6C1SIDO1MAPTMEN1
SCHEMBL7435899 0.81 MAPT (0.57) HDAC3HDAC8HDAC6IDO1MAPT
SCHEMBL7444028 0.81 NR1H4 (0.44) HDAC3HDAC8HDAC6MAPTMEN1
SCHEMBL7429806 0.80 KDM4E (0.56) CFTRHDAC6IDO1MAPTMEN1
SCHEMBL7437716 0.80 ABL1 (0.52) CFTRMAPTMEN1KMT2ARAB9A
SCHEMBL7434052 0.79 CYP3A4 (0.52) CFTRHDAC3HDAC8HDAC6C1S
SCHEMBL7441613 0.79 MAPT (0.50) HDAC3HDAC8HDAC6PLAUMAPT
SCHEMBL7429092 0.77 CFTR (0.47) CFTRC1SPLGPLATPRSS1
SCHEMBL7426082 0.77 MEN1 (0.51) CFTRHDAC6IDO1MAPTMEN1
SCHEMBL7431073 0.76 CSNK2A1 (0.57) HDAC3HDAC8HDAC6MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed