SCHEMBL9208351

SCHEMBL9208351

CC([O])c1nnnn1C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 3/20 0.45
FAAH O00519 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 1/20 0.39
ROCK2 O75116 1/20 0.38
BRD4 O60885 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
ATM Q13315 1/20 0.35
MC4R P32245 1/20 0.35

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
SCHEMBL12141917 0.86 MCOLN2 (0.47) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL24038267 0.77 MEN1 (0.46) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL12844387 0.77 MEN1 (0.46) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL9872410 0.76 CYP2D6 (0.41) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL96013 0.75 FAAH (0.39) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL8881199 0.73 DAGLA (0.39) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL9204700 0.72 NPSR1 (0.54) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL96014 0.72 NPSR1 (0.40) MCOLN2FAAHMEN1KMT2AHSD17B10
SCHEMBL8881202 0.70 DAGLA (0.39) MCOLN2MEN1KMT2AHSD17B10KDM4E
SCHEMBL24966146 0.67 ALDH1A1 (0.42) FAAHMEN1KMT2AHSD17B10KDM4E

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-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP disclosed