SCHEMBL1435404

SCHEMBL1435404

COc1ccc(-c2csc(C(=O)C=Cc3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HSPD1 P10809 1/20 0.56
TNFRSF1A P19438 1/20 0.56
MAOB P27338 1/20 0.56
HSPE1 P61604 1/20 0.56
CYP1B1 Q16678 1/20 0.56
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
BCHE P06276 1/20 0.53
CYP3A4 P08684 1/20 0.53
PARP1 P09874 2/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1435318 0.86 CYP1B1 (0.54) MAPTMEN1KMT2AALDH1A1CYP1B1
SCHEMBL1435433 0.84 TP53 (0.53) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL1435687 0.84 MAPT (0.60) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL1435403 0.84 CYP1B1 (0.54) MAPTMEN1KMT2AALDH1A1TNFRSF1A
SCHEMBL1435414 0.81 MAOB (0.56) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL4747433 0.81 PARP1 (0.78) MAPTMEN1KMT2AALDH1A1NFKB1
SCHEMBL4747429 0.81 PARP1 (0.78) MAPTMEN1KMT2AALDH1A1NFKB1
SCHEMBL4747427 0.81 PARP1 (0.78) MAPTMEN1KMT2AALDH1A1NFKB1
SCHEMBL1435550 0.80 CYP1B1 (0.57) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL9831049 0.79 RAB9A (0.66) MAPTMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed