SCHEMBL8314939

SCHEMBL8314939

CC(C)(C)c1csc(-c2cc3cc(COc4ccccc4CC#N)ccc3o2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
ALOX5 P09917 2/20 0.33
MAOA P21397 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ATP4A P20648 1/20 0.31
MAPK1 P28482 1/20 0.31
ATP4B P51164 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ABCB1 P08183 2/20 0.31
CYP26A1 O43174 1/20 0.31

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
SCHEMBL8315448 0.88 ALOX5 (0.34) MAOBALOX5HDAC6ABCB1CYP26A1
SCHEMBL8312063 0.88 ALOX5 (0.34) MAOBALOX5MAOAMEN1KMT2A
SCHEMBL8311729 0.84 F2RL3 (0.35) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL6601742 0.84 ALDH1A1 (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8314615 0.83 MAPT (0.33) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL8315203 0.82 PDE9A (0.31) MAOBALOX5
SCHEMBL8314291 0.82 KMT2A (0.43) MAOBALOX5MAOAMEN1KMT2A
SCHEMBL6599597 0.77 F2RL3 (0.33) MAOBF2RL3
SCHEMBL6607922 0.77 MAPT (0.33) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8316231 0.76 MAOB (0.46) MAOBMAOAF2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP disclosed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed