SCHEMBL4021806

SCHEMBL4021806

COCc1ncc(C(=O)/C=C/N(C)C)n1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.33
CDK4 P11802 7/20 0.32
CCND1 P24385 4/20 0.32
CCND3 P30281 4/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK6 Q00534 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL4021809 1.00 MAPT (0.36) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL4031074 0.98 MAPT (0.39) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL4031070 0.98 MAPT (0.39) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL1448519 0.81 ALDH1A1 (0.40) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL1448522 0.81 ALDH1A1 (0.40) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL4025418 0.80 HRH3 (0.36) ALDH1A1MEN1KMT2ACDK4CCND1
SCHEMBL1447709 0.78 ALDH1A1 (0.43) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL1447706 0.78 ALDH1A1 (0.43) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL4026141 0.78 MAPK1 (0.35) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL4023024 0.78 MAPT (0.32) MAPTALDH1A1LMNAHTTHPGD

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