SCHEMBL9876938

SCHEMBL9876938

CN(C)CCCOc1ccc(-c2nn(CCO)c3ncccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.45
GSK3B P49841 2/20 0.44
KDR P35968 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.38
CXCR1 P25024 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL9234490 0.92 GSK3B (0.50) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9876891 0.88 LSS (0.44) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9876682 0.87 GSK3B (0.43) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9230726 0.87 GSK3B (0.42) LSSGSK3BHRH3PTPN1KDM4E
SCHEMBL9876697 0.85 LSS (0.43) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9234584 0.85 LSS (0.46) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9236664 0.85 KDM4E (0.43) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9877732 0.85 ALDH1A1 (0.53) LSSGSK3BKDRTGFBR1ACVR1
SCHEMBL9876908 0.85 ALDH1A1 (0.51) LSSGSK3BHRH3KDM4EALDH1A1
SCHEMBL9224007 0.84 LSS (0.44) LSSGSK3BKDRTGFBR1ACVR1

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 1 patent. 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 disclosed