SCHEMBL11244542

SCHEMBL11244542

O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SCCc2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ PKM P14618 2/20 0.43
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL11240981 0.79 RAB9A (0.46) RAB9ANPC1PKMPOLBMEN1
SCHEMBL10992835 0.76 PKM (0.47) RAB9ANPC1PKMPOLBMEN1
SCHEMBL11236633 0.73 MAPT (0.51) RAB9ANPC1PKMPOLBMEN1
SCHEMBL5316281 0.73 NPC1 (0.50) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL7604101 0.73 RAB9A (0.57) RAB9ANPC1PKMPOLBMEN1
SCHEMBL11229738 0.72 DHODH (0.48) RAB9ANPC1PKMPOLBMEN1
SCHEMBL10608014 0.71 MAOA (0.51) RAB9ANPC1PKMPOLBMEN1
Penfluron SCHEMBL117735 0.71 EPHX2 (0.60) RAB9ANPC1MEN1KMT2AJAK2
Diflubenzuron SCHEMBL42416 0.70 RAB9A (0.59) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL10703352 0.70 KMT2A (0.53) RAB9ANPC1PKMPOLBMEN1

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
US-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 — — US disclosed
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