SCHEMBL9876891

SCHEMBL9876891

CN(C)CCCOc1ccc(-c2nn(CCC(=O)O)c3ncccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
LTA4H P09960 6/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDR P35968 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9236664 0.93 KDM4E (0.43) LSSLTA4HGSK3BKDM4ETSHR
SCHEMBL9234584 0.90 LSS (0.46) LSSLTA4HGSK3BKDM4EHSD17B10
SCHEMBL9876908 0.89 ALDH1A1 (0.51) LSSLTA4HGSK3BKDM4EALDH1A1
SCHEMBL9234490 0.89 GSK3B (0.50) LSSGSK3BKDM4EALDH1A1KDR
SCHEMBL9876938 0.88 LSS (0.45) LSSGSK3BKDM4EALDH1A1KDR
SCHEMBL9876682 0.87 GSK3B (0.43) LSSGSK3BKDM4EALDH1A1KDR
Fumaric Acid SCHEMBL9232176 0.86 GSK3B (0.42) LSSGSK3BKDM4EALDH1A1KDR
SCHEMBL9237569 0.86 GSK3B (0.42) LSSLTA4HGSK3BKDM4ETSHR
Maleic Acid SCHEMBL9232171 0.86 GSK3B (0.42) LSSGSK3BKDM4EALDH1A1KDR
SCHEMBL9876697 0.86 LSS (0.43) LSSLTA4HGSK3BKDM4EALDH1A1

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US claimed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP claimed
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed