SCHEMBL7423152

SCHEMBL7423152

Cc1cc(OC(=O)NCc2ccc3c(c2)OCO3)c(N)s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 6/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 3/20 0.52
HPGD P15428 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 2/20 0.50
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
CHRM4 P08173 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL7888362 0.89 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL7429168 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL7421896 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL7890880 0.87 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL7889258 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL7422482 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL8209522 0.81 TDP1 (0.60) SMN1; SMN2ALDH1A1HSD17B10HPGDMEN1
SCHEMBL7893101 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL7889273 0.79 FAAH (0.48) ALDH1A1HPGDKMT2ACHRM4KDM4E
SCHEMBL7880879 0.79 NCEH1 (0.48) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1

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