SCHEMBL8311728

SCHEMBL8311728

CC(C)c1cnc(-c2cc3cc(OCc4ccccc4CC#N)ccc3o2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
F2RL3 Q96RI0 4/20 0.37
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 2/20 0.33
SLC26A4 O43511 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL8311214 0.88 S1PR1 (0.39) S1PR1F2RL3SLC26A4MEN1KMT2A
SCHEMBL8310631 0.83 F2RL3 (0.35) S1PR1F2RL3LMNANPSR1MAOB
SCHEMBL8315285 0.81 S1PR1 (0.35) S1PR1F2RL3MEN1KMT2A
SCHEMBL8310220 0.80 KDM4E (0.43) F2RL3LMNANPSR1MAOBSLC26A4
SCHEMBL8311729 0.78 F2RL3 (0.35) S1PR1F2RL3LMNANPSR1MAOB
SCHEMBL8310770 0.78 APP (0.47) S1PR1F2RL3MAPTADRA2AADRA2B
SCHEMBL8315007 0.77 NPC1 (0.40) S1PR1F2RL3LMNANPSR1MAOB
SCHEMBL8311847 0.77 KMT2A (0.39) F2RL3NPSR1MEN1KMT2AMAPT
SCHEMBL8317364 0.76 F2RL3 (0.34) S1PR1F2RL3LMNANPSR1MAOB
SCHEMBL8310491 0.76 F2RL3 (0.33) F2RL3LMNANPSR1MAOBSLC26A4

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