SCHEMBL6244966

SCHEMBL6244966

CC(C)(C)c1cc(C#N)c(NC(=O)CCl)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPT P10636 8/20 0.43
▸ EGFR P00533 1/20 0.40
▸ LMNA P02545 8/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ HTT P42858 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ AR P10275 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ MITF O75030 1/20 0.35
▸ POLB P06746 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
SCHEMBL2733186 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2733616 0.84 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL2733197 0.77 RAB9A (0.45) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL2733030 0.69 MAP2K1 (0.44) LMNASMN1; SMN2ARMEN1KMT2A
SCHEMBL13713684 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL14424854 0.67 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8351467 0.65 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL4836303 0.65 KDM4E (0.34) ALDH1A1HPGD
SCHEMBL4088527 0.64 GAA (0.43) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL30590411 0.64 TRPA1 (0.38) ALDH1A1LMNASMN1; SMN2ARMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 — — WO disclosed
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