SCHEMBL22046643

SCHEMBL22046643

CCSc1nnc(-c2cccnc2)n1CC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
LMNA P02545 3/20 0.74
KDM4E B2RXH2 2/20 0.74
CDC25A P30304 1/20 0.63
CDC25B P30305 1/20 0.63
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL4211826 0.85 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL22047108 0.85 ALDH1A1 (0.86) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL22046615 0.85 ALDH1A1 (0.67) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4212548 0.84 ALDH1A1 (0.84) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL18556551 0.84 ALDH1A1 (0.79) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL18556550 0.82 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL6433077 0.82 ALDH1A1 (0.80) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4204209 0.82 LMNA (0.80) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4215484 0.82 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL18556552 0.82 KMT2A (0.78) ALDH1A1LMNAKDM4ECDC25ACDC25B

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
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed