SCHEMBL17450499

SCHEMBL17450499

C=C(c1ccc(Cl)cc1)N(C)C(=S)NC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL11071201 0.73 MAOA (0.45) KMT2APOLBALDH1A1LMNAL3MBTL1
Bromide SCHEMBL6061518 0.71 MAOA (0.44) KMT2APOLBALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6061385 0.71 MAOA (0.47) KMT2APOLBALDH1A1LMNAL3MBTL1
SCHEMBL7300273 0.70 ALDH1A1 (0.53) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL5914768 0.69 MEN1 (0.43) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL11453734 0.67 MAPT (0.43) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL7666503 0.67 SMN1; SMN2 (0.58) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL7843193 0.66 L3MBTL1 (0.40) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL29586112 0.65 ALDH1A1 (0.60) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL5454000 0.64 ALDH1A1 (0.61) MEN1KMT2APOLBALDH1A1GAA

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-2016010610-A2 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2016-01-21 — — WO disclosed
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