SCHEMBL9543886

SCHEMBL9543886

CCOC(=O)c1cnc2cnnn2c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 4/20 0.52
TSHR P16473 3/20 0.52
TP53 P04637 2/20 0.52
NFKB1 P19838 1/20 0.52
STAT1 P42224 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL9679511 0.84 KDM4E (0.47) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9679484 0.83 KDM4E (0.46) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9678739 0.83 NPC1 (0.47) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL236467 0.80 RAB9A (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL238840 0.76 NPC1 (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL235867 0.76 RAB9A (0.69) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL238576 0.75 NPC1 (0.62) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3262344 0.75 NPC1 (0.61) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2755213 0.74 RAB9A (0.83) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL239039 0.74 NPC1 (0.63) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2

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-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed