SCHEMBL4345481

SCHEMBL4345481

CCNc1nc(Cl)nc(N(CC)C(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
GAA P10253 4/20 0.52
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CREBBP Q92793 2/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL15720670 0.82 ALDH1A1 (0.36) LMNAGAACYP1A2L3MBTL1ALDH1A1
SCHEMBL8537334 0.80 LMNA (0.64) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL29355285 0.80 LMNA (0.64) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL65969 0.80 LMNA (0.64) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL9706939 0.79 KDM4E (0.53) GAAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11808524 0.78 LMNA (0.53) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL7115688 0.77 GAA (0.52) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL27797742 0.77 LMNA (0.60) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL571829 0.75 PDE4A (0.37) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL4831154 0.74 LMNA (0.90) LMNAGAACYP1A2CYP2C19L3MBTL1

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-2009076711-A1 ENZYMES AND METHODS FOR DEGRADING CHLORINATED S-TRIAZINES SUGAR INDUSTRY INNOVATION PTY LTD (AU) 2009-06-25 WO disclosed