SCHEMBL13761095

SCHEMBL13761095

Cc1sc(-c2ccc(Cl)cc2)nc1C1=C(OC(=O)c2ccc(Cl)nc2)C(C)(C)C(C)(C)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ RARA P10276 4/20 0.39
▸ RARB P10826 4/20 0.39
▸ RARG P13631 4/20 0.39
▸ KDM4E B2RXH2 5/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ NLRP1 Q9C000 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
SCHEMBL13761087 0.82 RARA (0.44) KMT2AMAPTMEN1POLBRARA
SCHEMBL13710241 0.79 KMT2A (0.42) KMT2AMAPTMEN1POLBRARA
SCHEMBL13710222 0.79 KMT2A (0.40) KMT2AMAPTMEN1POLBRARA
SCHEMBL13761088 0.77 APEX1 (0.45) KMT2AMAPTMEN1POLBRARA
SCHEMBL13761057 0.71 ALDH1A1 (0.38) KMT2AMAPTMEN1RARARARB
SCHEMBL13761065 0.68 RARA (0.48) KMT2AMAPTMEN1POLBRARA
SCHEMBL13761059 0.67 RARA (0.40) RARARARBRARGAPEX1ALDH1A1
SCHEMBL13761070 0.66 MEN1 (0.44) KMT2AMAPTMEN1RARARARB
SCHEMBL13710228 0.64 RARA (0.46) KMT2AMAPTMEN1POLBRARA
SCHEMBL13710221 0.63 APEX1 (0.44) KMT2AMAPTMEN1POLBRARA

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
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