SCHEMBL7911686

SCHEMBL7911686

CC1=CN2C=C(CO)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.34
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
GLA P06280 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 3/20 0.32
ALOX12 P18054 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
FYN P06241 1/20 0.31

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
SCHEMBL7910125 0.88 PGR (0.34) PGRESR2ALDH1A1POLBAPOBEC3G
SCHEMBL7913253 0.82 MAOB (0.34) PGRALDH1A1MAPTALOX12LMNA
SCHEMBL7913037 0.82 SLC6A3 (0.35) PGRALDH1A1MEN1KMT2AMAPT
SCHEMBL7902850 0.80 PGR (0.33) PGRESR2ALDH1A1POLBAPOBEC3G
SCHEMBL7902988 0.78 GRIN1 (0.32) RAB9ALMNASMN1; SMN2NPC1CYP1A2
SCHEMBL7915334 0.78 DHFR (0.32) RAB9ASMN1; SMN2NPC1
SCHEMBL7902852 0.78 NPC1 (0.34) POLBKMT2AMAPTTP53RAB9A
SCHEMBL7902845 0.78 PIM1 (0.31)
SCHEMBL7916993 0.78 ESR2 (0.35) PGRESR2ALDH1A1POLBAPOBEC3G
SCHEMBL7914652 0.76 DYRK3 (0.37) ALDH1A1MEN1KMT2ATP53RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed