SCHEMBL11762772

SCHEMBL11762772

Cc1cccc(NC(=S)c2cc(C(C)(C)CC(C)(C)C)ccc2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ MDH1 P40925 2/20 0.40
▸ MDH2 P40926 2/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL11758299 0.89 POLB (0.44) POLBHTTMEN1KMT2AHPGD
SCHEMBL11759881 0.86 CYP1A2 (0.48) POLBHTTMEN1KMT2AHPGD
SCHEMBL11761064 0.80 CYP1A2 (0.56) MEN1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL11762767 0.75 MEN1 (0.49) POLBHTTMEN1KMT2AHPGD
SCHEMBL11762775 0.71 NR1H4 (0.53) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL29538260 0.70 CNR2 (0.51) MEN1KMT2ACYP3A4CYP2D6HIF1A
SCHEMBL9493126 0.68 SHBG (0.51) POLBHTTMEN1KMT2AMDH1
SCHEMBL9355691 0.68 ESR1 (0.61) MEN1KMT2ACYP3A4CYP2D6HIF1A
SCHEMBL1110466 0.68 CYP3A4 (0.50) POLBHTTMEN1KMT2AHPGD
SCHEMBL29987613 0.68 CYP3A4 (0.50) POLBHTTMEN1KMT2AHPGD

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-4008274-A ANTIFOULING YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-02-15 — — US disclosed
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