SCHEMBL7904187

SCHEMBL7904187

CCC(=O)Nc1ccc2c(N)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
POLB P06746 3/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 5/20 0.44
F9 P00740 2/20 0.44
MAP4K4 O95819 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.43
NR4A1 P22736 1/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL7902665 0.84 CA12 (0.50) RAB9AF9ALDH1A1NPC1MEN1
SCHEMBL9212282 0.82 F9 (0.45) RAB9AF9ALDH1A1NPC1KDM4E
SCHEMBL12545753 0.81 RAB9A (0.56) GAARAB9AF9TSHRALDH1A1
SCHEMBL21929348 0.79 KDM4E (0.47) POLBF9ALDH1A1KDM4ELCK
SCHEMBL1947459 0.77 CA12 (0.56) F9MAP4K4CA12CA1CA9
SCHEMBL22424604 0.75 F9 (0.47) F9LCKCSF1R
SCHEMBL20229888 0.74 POLB (0.49) POLBRAB9AALDH1A1NR4A1NPC1
SCHEMBL6689551 0.71 NR3C1 (0.52) CYP3A4POLBGAARAB9AALDH1A1
SCHEMBL3004279 0.70 NQO2 (0.45) KDM4ESMN1; SMN2
SCHEMBL23175956 0.70 F9 (0.45) GAARAB9AF9ALDH1A1NPC1

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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed