SCHEMBL7220914

SCHEMBL7220914

CCOC(=O)Cn1c(C)cnc(Nc2cccnc2CC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
F2 P00734 6/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL7216462 0.88 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL7139116 0.76 KDM4E (0.45) MEN1KMT2AALDH1A1KDM4EF2
SCHEMBL5474623 0.75 F2 (0.52) MEN1KMT2AALDH1A1KDM4EF2
SCHEMBL7158554 0.74 F2 (0.63) F2PRSS1
SCHEMBL7214888 0.74 F2 (0.67) F2PRSS1PRSS2PRSS3
SCHEMBL3238629 0.73 F2 (0.46) MEN1KMT2AALDH1A1F2PRSS1
SCHEMBL5479394 0.73 F2 (0.50) MEN1KMT2AF2PRSS1
SCHEMBL5474694 0.72 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL6957416 0.72 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL7449500 0.71 MAPT (0.41) MEN1KMT2AALDH1A1KDM4EMAPT

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
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed