SCHEMBL18644697

SCHEMBL18644697

CCOC(=O)/C(CBr)=N\NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 3/20 0.36
AKT1 P31749 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPA1 O75762 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTSK P43235 2/20 0.34
TSHR P16473 1/20 0.33
KYAT1 Q16773 1/20 0.33
MIF P14174 1/20 0.33
APOBEC3A P31941 1/20 0.33

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
SCHEMBL2158727 1.00 MAPT (0.39) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL2158722 1.00 MAPT (0.39) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL18625454 0.85 MAPT (0.39) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL18625450 0.85 MAPT (0.39) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL18625453 0.85 MAPT (0.39) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL18625504 0.81 MAPT (0.43) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL18625505 0.81 MAPT (0.43) MAPTNPC1RAB9AKMT2AHTT
SCHEMBL18625414 0.80 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1TRPA1KYAT1
SCHEMBL18625416 0.80 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1TRPA1KYAT1
SCHEMBL14908440 0.80 MAPT (0.64) MAPTNPC1RAB9AKMT2AHTT

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
US-9598419-B1 Imidazotriazine and imidazodiazine compounds UNIVERSITE DE MONTREAL (CA) 2017-03-21 US disclosed
US-9598419-B1 Imidazotriazine and imidazodiazine compounds UNIVERSITE DE MONTREAL (CA) 2017-03-21 US disclosed