SCHEMBL9622964

SCHEMBL9622964

CCOC(C)OCC.O=CCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 1/20 0.50
SLC2A1 P11166 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 3/20 0.47
BCHE P06276 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4865476 0.83 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL9622966 0.80 KMT2A (0.61) KMT2AMEN1ATMSMN1; SMN2GAA
SCHEMBL31689699 0.77 KMT2A (0.67) KMT2AMEN1ATMSMN1; SMN2GAA
SCHEMBL23405764 0.77 KMT2A (0.67) KMT2AMEN1ATMSMN1; SMN2GAA
SCHEMBL10337118 0.75 KDM4E (0.47) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL16765289 0.74 BCHE (0.60) KMT2AMEN1ATMSMN1; SMN2LMNA
SCHEMBL16764559 0.74 KMT2A (0.60) KMT2AMEN1ATMSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL9621781 0.74 KDM4E (0.46) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL10826146 0.73 SLC2A1 (0.54) KMT2AMEN1ATMSMN1; SMN2SLC2A1
SCHEMBL9416614 0.72 LMNA (0.73) KMT2AMEN1ATMSMN1; SMN2SLC2A1

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-0238060-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-01-08 EP disclosed
US-4814328-A Cephalosporin derivatives, and antibacterial agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-03-21 US disclosed
US-4782155-A ISOQUINOLINE SALTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed