SCHEMBL2467224

SCHEMBL2467224

CCCOc1cccc(C(=N)N)c1C(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 2/20 0.41
MCHR1 Q99705 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
NLRP1 Q9C000 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
SCHEMBL2566716 0.88 LMNA (0.55) LMNAMEN1KMT2AMAPTNR1I2
Hydrochloric Acid SCHEMBL28520522 0.87 LMNA (0.54) LMNAMEN1KMT2AMAPTNR1I2
Hydrochloric Acid SCHEMBL973645 0.87 LMNA (0.54) LMNAMEN1KMT2AMAPTNR1I2
Alcohol SCHEMBL11712776 0.85 LMNA (0.53) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL7723352 0.80 LMNA (0.51) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL2560081 0.80 LMNA (0.62) LMNAMEN1KMT2AMAPTNR1I2
Hydrochloric Acid SCHEMBL11625882 0.79 LMNA (0.60) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL27603253 0.79 LMNA (0.69) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL11629229 0.78 LMNA (0.49) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL17275051 0.77 LMNA (0.72) LMNAMEN1KMT2AMAPTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2538781-A2 PROCESS FOR THE CO-ENCAPSULATION OF BIOCIDALLY ACTIVE COMPOUNDS IN CLAY MINERALS FUNCTIONALIZED BY NITROGEN COMPOUNDS Clariant S.A., Brazil (BR) 2013-01-02 EP disclosed
WO-2011103969-A2 PROCESS FOR THE CO-ENCAPSULATION OF BIOCIDALLY ACTIVE COMPOUNDS IN CLAY MINERALS FUNCTIONALIZED BY NITROGEN COMPOUNDS CLARIANT S. A. BRAZIL (BR) 2011-09-01 WO disclosed