SCHEMBL13761071

SCHEMBL13761071

Cc1sc(-c2cccc(C(F)(F)F)c2)nc1C1=C(O)C(C)(C)C(C)(C)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ PPARA Q07869 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ RORB Q92753 2/20 0.36
▸ XDH P47989 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL13761065 0.84 RARA (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13761070 0.81 MEN1 (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13761059 0.81 RARA (0.40) ALDH1A1
SCHEMBL13710201 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13761088 0.79 APEX1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2094449 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2094451 0.70 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28321704 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1199183 0.69 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13710200 0.68 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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
Send feedback