SCHEMBL7426581

SCHEMBL7426581

COc1ccc(CNC(=O)Oc2cc(C)sc2N)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.43
PTGER4 P35408 1/20 0.41
HPGD P15428 2/20 0.41
WDR5 P61964 1/20 0.41

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
SCHEMBL7892983 0.90 TSHR (0.50) TSHRGAALMNASMN1; SMN2KMT2A
SCHEMBL7893101 0.90 ALDH1A1 (0.56) TSHRGAALMNASMN1; SMN2KMT2A
SCHEMBL7881483 0.87 TSHR (0.47) TSHRGAALMNASMN1; SMN2KMT2A
SCHEMBL8207980 0.83 GAA (0.55) GAALMNAKMT2AMEN1HPGD
SCHEMBL7890876 0.82 ALDH1A1 (0.54) TSHRGAALMNASMN1; SMN2KMT2A
SCHEMBL7889273 0.80 FAAH (0.48) TSHRLMNAKMT2AALDH1A1HPGD
SCHEMBL7880879 0.80 NCEH1 (0.48) TSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL7881465 0.77 MAPT (0.44) TSHRGAALMNASMN1; SMN2KMT2A
SCHEMBL7423152 0.77 SMN1; SMN2 (0.61) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7886971 0.76 ALDH1A1 (0.53) TSHRGAALMNASMN1; SMN2KMT2A

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-0934301-B1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2001-06-20 EP disclosed
EP-0934301-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998016521-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 1998-04-23 WO disclosed