SCHEMBL9234584

SCHEMBL9234584

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.46
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.43
GSK3B P49841 1/20 0.42
PSMB1 P20618 2/20 0.41
PSMB5 P28074 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LTA4H P09960 1/20 0.40
KDR P35968 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CXCR1 P25024 1/20 0.39

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
SCHEMBL9876697 0.92 LSS (0.43) LSSKDM4EALDH1A1HPGDGSK3B
SCHEMBL9877732 0.91 ALDH1A1 (0.53) LSSKDM4EALDH1A1HPGDGSK3B
SCHEMBL9876891 0.90 LSS (0.44) LSSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9879836 0.89 LSS (0.41) LSSKDM4EALDH1A1HPGDGSK3B
Fumaric Acid SCHEMBL10591933 0.89 LSS (0.41) LSSKDM4EALDH1A1HPGDGSK3B
SCHEMBL9876979 0.88 GAA (0.48) LSSKDM4EALDH1A1HPGDGSK3B
Fumaric Acid SCHEMBL9237908 0.88 ALDH1A1 (0.48) LSSKDM4EALDH1A1HPGDGSK3B
Maleic Acid SCHEMBL9237900 0.88 ALDH1A1 (0.48) LSSKDM4EALDH1A1HPGDGSK3B
SCHEMBL9236664 0.88 KDM4E (0.43) LSSKDM4EALDH1A1HSD17B10GSK3B
SCHEMBL9877123 0.87 LSS (0.42) LSSKDM4EALDH1A1HPGDGSK3B

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
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
EP-0641564-A1 OPTICALLY ACTIVE CONDENSED PYRAZOLE COMPOUND FOR USE IN TREATING THROMBOCYTOPENIA AND ERYTHROPENIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
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