SCHEMBL4026817

SCHEMBL4026817

CCc1ncc(C(=O)/C=C/N(C)C)n1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
MAPT P10636 8/20 0.35
ALDH1A1 P00352 7/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RECQL P46063 2/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 3/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL4026822 1.00 HTT (0.37) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3551270 0.85 MAPT (0.36) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3551267 0.85 MAPT (0.36) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL1447529 0.81 MAPT (0.35) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL1447531 0.81 MAPT (0.35) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL4026799 0.79 NOTUM (0.37) ALDH1A1LMNANPSR1CNR2NOTUM
SCHEMBL6594995 0.78 ALDH1A1 (0.46) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6594999 0.78 ALDH1A1 (0.46) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3557097 0.76 MAPT (0.38) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3557099 0.76 MAPT (0.38) HTTMAPTALDH1A1RAB9ANPC1

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
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed