SCHEMBL13761049

SCHEMBL13761049

Cc1sc(-c2ccc(Cl)cc2)nc1C1=C(O)C2(CCCCC2)COC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RARA P10276 2/20 0.37
▸ RARB P10826 2/20 0.37
▸ RARG P13631 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 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
SCHEMBL13710167 0.84 APEX1 (0.41) APEX1LMNAALDH1A1KMT2ARARA
SCHEMBL13710177 0.83 APEX1 (0.40) APEX1LMNAALDH1A1KMT2ARARA
SCHEMBL13761047 0.82 APEX1 (0.39) APEX1LMNAALDH1A1KMT2ARARA
SCHEMBL13761088 0.75 APEX1 (0.45) APEX1LMNAALDH1A1KMT2ARARA
SCHEMBL13710221 0.73 APEX1 (0.44) APEX1LMNAALDH1A1KMT2ARARA
SCHEMBL13712403 0.71 APEX1 (0.37) APEX1LMNAKMT2ARARARARB
SCHEMBL13710236 0.70 WRN (0.47) APEX1LMNAALDH1A1KMT2ARARA
SCHEMBL13710231 0.69 HRH3 (0.46) ALDH1A1KDM4EHRH3RAB9ASMN1; SMN2
SCHEMBL14066572 0.69 PTGS2 (0.36) APEX1LMNAALDH1A1KMT2ARAB9A
SCHEMBL13761079 0.68 APEX1 (0.41) APEX1LMNAALDH1A1KMT2ARARA

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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