SCHEMBL13761069

SCHEMBL13761069

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C1=C(O)CC(C)(C)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ADAMTS7 Q9UKP4 1/20 0.37
WRN Q14191 1/20 0.37
PIM1 P11309 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
CTSS P25774 1/20 0.35
PPARA Q07869 2/20 0.34

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
SCHEMBL13761061 0.88 RARA (0.39) KDM4EALDH1A1GAARAB9ARARA
SCHEMBL13761079 0.86 APEX1 (0.41) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL13761056 0.86 RARA (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL13710198 0.83 WRN (0.49) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL13761050 0.78 KMT2A (0.42) KMT2ANPC1PIM1RAB9ASMN1; SMN2
SCHEMBL13761060 0.70 RARA (0.35) KDM4EALDH1A1GAARAB9ARARA
SCHEMBL13710191 0.70 PIK3CD (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14064293 0.69 NPC1 (0.42) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL13761086 0.69 MAPT (0.44) MAPTMEN1KMT2ARARARARB
SCHEMBL13761081 0.69 MAPT (0.38) MAPTKDM4EMEN1KMT2ANPC1

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-7566731-B2 Hetaryl substituted homotetramic and homotetronic acids and their use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2009-07-28 US disclosed
US-7566731-B2 Hetaryl substituted homotetramic and homotetronic acids and their use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2009-07-28 US disclosed