SCHEMBL7972241

SCHEMBL7972241

CCOC(=O)N1Cc2cc3nc(-c4[nH]nc(-c5ccc(C)cc5)c4O)[nH]c3cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
F11 P03951 1/20 0.41
F7 P08709 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SIRT2 Q8IXJ6 6/20 0.37
SIRT1 Q96EB6 5/20 0.37
SIRT3 Q9NTG7 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7970397 0.89 F9 (0.43) F9F10F11F7BRD4
SCHEMBL7973945 0.84 MEN1 (0.38) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL7971003 0.82 F9 (0.43) F9F10F11F7KMT2A
SCHEMBL7975112 0.80 F9 (0.47) F9F10F11F7MEN1
SCHEMBL10140043 0.76 TMEM97 (0.42)
SCHEMBL10172686 0.73 CHEK2 (0.69) F9F10F11F7CHEK2
SCHEMBL7975606 0.73 BRD4 (0.37) NPC1RAB9ASIRT2SIRT1SMN1; SMN2
SCHEMBL7970443 0.72 ATR (0.39) F9F10F11BRD4CHEK2
SCHEMBL20307729 0.72 F9 (0.40) F9F10F11F7MEN1
SCHEMBL7969308 0.72 TSPO (0.37) SIRT2SIRT1SIRT3BRD4CHEK2

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed