SCHEMBL13761070

SCHEMBL13761070

CCNC(=O)OC1=C(c2nc(-c3cccc(C(F)(F)F)c3)sc2C)C(=O)OC(C)(C)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRIN1 Q05586 2/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ RARA P10276 2/20 0.35
▸ RARB P10826 2/20 0.35
▸ RARG P13631 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KIFC1 Q9BW19 2/20 0.34
▸ ALPL P05186 1/20 0.34
▸ ALPI P09923 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
SCHEMBL13710200 0.84 MAPT (0.43) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13761071 0.81 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13761057 0.69 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1RARA
SCHEMBL13710201 0.68 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL18003971 0.66 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13761065 0.66 RARA (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28321704 0.64 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1199183 0.64 ALDH1A1 (0.69) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13761059 0.64 RARA (0.40) ALDH1A1RARARARBRARG
SCHEMBL6229253 0.64 FAAH (0.65) ALDH1A1

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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