SCHEMBL7916616

SCHEMBL7916616

CC1=C(C)N2C=C(Cc3ccc(NC(N)=O)cc3)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.48
RORC P51449 2/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
PRKD3 O94806 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PRKD1 Q15139 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
CACNA1B Q00975 1/20 0.34
PDE4B Q07343 2/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33

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
SCHEMBL7913175 0.85 MAOB (0.33) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7911295 0.85 PDE4D (0.48) PDE4DRORCKMT2AL3MBTL1MEN1
SCHEMBL7920535 0.79 DHFR (0.33)
SCHEMBL7915330 0.79 MEN1 (0.36) KMT2AMEN1
SCHEMBL7902850 0.79 PGR (0.33) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7911681 0.77 MAPT (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7930844 0.77 PGR (0.33) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL7911301 0.73 NLRP3 (0.35) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7902855 0.73 ALDH1A1 (0.43) KMT2AL3MBTL1MEN1ALDH1A1HPGD
SCHEMBL7913291 0.72 ALOX5 (0.42) PDE4DKMT2AL3MBTL1MEN1ALDH1A1

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