SCHEMBL11758289

SCHEMBL11758289

CCC(C)(C)c1ccc(S)c(C(=O)Nc2cccc(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KCNK3 O14649 5/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ KCNK9 Q9NPC2 4/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL11762767 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL11759876 0.88 KCNK3 (0.59) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL11761059 0.82 MEN1 (0.61) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL20022687 0.76 MEN1 (0.70) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL11588568 0.75 SMN1; SMN2 (0.63) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL11758299 0.75 POLB (0.44) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL21652307 0.73 KCNK9 (0.65) MEN1KMT2AKCNK3RAB9AHTT
SCHEMBL11758305 0.72 NR1H4 (0.54) MEN1KMT2AALDH1A1RAB9ARXFP1
SCHEMBL7293743 0.71 KCNK3 (0.86) MEN1KMT2AALDH1A1KCNK3RAB9A
SCHEMBL11764243 0.70 PLG (0.58) ALDH1A1RAB9ANR1H4SMN1; SMN2NPC1

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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