SCHEMBL5228224

SCHEMBL5228224

C=C(C)CNc1c(CC(C)C)c(Cl)nc2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ENPP1 P22413 3/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5227193 0.80 LMNA (0.37) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL5229336 0.77 LMNA (0.38) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL5324250 0.76 MBOAT4 (0.40) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL5324888 0.75 MBOAT4 (0.34) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL5324890 0.75 MBOAT4 (0.34) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL5234788 0.70 ALDH1A1 (0.35) LMNAALDH1A1HTTMAPK1
SCHEMBL5234785 0.68 MAPK1 (0.34) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL14398160 0.68 LMNA (0.45) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL14398187 0.68 LMNA (0.45) LMNAALDH1A1RAB9AGAAL3MBTL1
SCHEMBL5228359 0.67 LMNA (0.44) LMNAALDH1A1RAB9AGAAL3MBTL1

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
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US claimed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed