SCHEMBL13017447

SCHEMBL13017447

Cc1cc(I)cnc1/N=C/N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX15 P16050 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 6/20 0.34
HTT P42858 4/20 0.34
HSD17B10 Q99714 4/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 6/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2401906 0.79 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL12267661 0.79 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL5624489 0.74 CYP1A2 (0.38) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL5624486 0.74 CYP1A2 (0.38) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL312358 0.72 MAPT (0.51) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL312357 0.72 MAPT (0.51) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL16926828 0.71 MAPT (0.40) L3MBTL1ALOX15RECQLGAAKDM4E
SCHEMBL19760999 0.71 L3MBTL1 (0.36) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL30450482 0.71 L3MBTL1 (0.36) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL19761077 0.70 HTT (0.35) L3MBTL1CYP1A2CYP2C19CYP3A4CYP2D6

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-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed