SCHEMBL8555616

SCHEMBL8555616

NC(=S)CCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
GAA P10253 3/20 0.47
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 12/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
PTPN7 P35236 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL124124 0.82 ALDH1A1 (0.45) KMT2AGAAALOX5ALDH1A1HPGD
SCHEMBL1326250 0.80 ALOX5 (0.53) GAAALOX5ALDH1A1HPGDCYP3A4
SCHEMBL11334230 0.80 ALDH1A1 (0.46) KMT2AGAAALDH1A1HPGDCYP3A4
Hydrochloric Acid SCHEMBL5352595 0.78 ALOX5 (0.51) ALOX5ALDH1A1HPGDCYP3A4ALOX15
SCHEMBL18640589 0.76 ALDH1A1 (0.44) KMT2AGAAALDH1A1HPGDMEN1
SCHEMBL11011624 0.75 ALDH1A1 (0.48) KMT2AALOX5ALDH1A1HPGDCYP3A4
SCHEMBL8146532 0.75 ALDH1A1 (0.54) KMT2AGAAALOX5ALDH1A1HPGD
SCHEMBL2100645 0.74 ALOX5 (0.51) KMT2AALOX5ALDH1A1HPGDCYP3A4
SCHEMBL236223 0.73 ALDH1A1 (0.54) KMT2AALOX5ALDH1A1HPGDALOX15
SCHEMBL11234382 0.73 ALDH1A1 (0.50) KMT2AALOX5ALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582304-B1 Methods of producing amino butene derivatives FUJIREBIO KK (JP) 1998-04-01 EP disclosed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US disclosed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP disclosed
US-4837316-A ANTIULCER AGENTS FUJIREBIO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0214823-A2 Alkylamide derivatives with H2-receptor antagonistic and cytoprotective action FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1987-03-18 EP disclosed