SCHEMBL7902850

SCHEMBL7902850

CC1=C(C)N2C=C(CO)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 5/20 0.32
POLB P06746 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MAPT P10636 6/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
TP53 P04637 2/20 0.32
GLA P06280 1/20 0.32
ALOX12 P18054 3/20 0.31
LMNA P02545 3/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 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
SCHEMBL7930844 0.88 PGR (0.33) PGRESR2ALDH1A1POLBAPOBEC3G
SCHEMBL7913175 0.83 MAOB (0.33) PGRALDH1A1MAPTALOX12LMNA
SCHEMBL7911681 0.82 MAPT (0.36) PGRALDH1A1MAPTMEN1KMT2A
SCHEMBL7916993 0.81 ESR2 (0.35) PGRESR2ALDH1A1POLBAPOBEC3G
SCHEMBL7911301 0.80 NLRP3 (0.35) PGRALDH1A1KMT2AHPGDLMNA
SCHEMBL7911686 0.80 PGR (0.34) PGRESR2ALDH1A1POLBAPOBEC3G
SCHEMBL7920535 0.79 DHFR (0.33)
SCHEMBL7913291 0.78 ALOX5 (0.42) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7902855 0.78 ALDH1A1 (0.43) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7915330 0.74 MEN1 (0.36) MEN1KMT2A

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