SCHEMBL7429168

SCHEMBL7429168

CCCc1cc(OC(=O)NCc2ccc3c(c2)OCO3)c(N)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 5/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 8/20 0.51
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7889258 0.94 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTHPGDHSD17B10
SCHEMBL7888362 0.92 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTHPGDHSD17B10
SCHEMBL7423152 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTHPGDHSD17B10
SCHEMBL7421896 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTHPGDHSD17B10
SCHEMBL7890880 0.85 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HTTHPGDHSD17B10
SCHEMBL8212886 0.83 HPGD (0.58) SMN1; SMN2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8200310 0.77 HPGD (0.56) SMN1; SMN2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7421905 0.74 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1HTTHPGDHSD17B10
SCHEMBL8207225 0.74 HPGD (0.60) SMN1; SMN2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7886971 0.74 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HSD17B10KMT2AMEN1

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