SCHEMBL8634186

SCHEMBL8634186

CC(=O)OC(c1ccccc1F)c1scnc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 12/20 0.36
HDAC4 P56524 3/20 0.35
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL8630064 0.82 IDO1 (0.36) MEN1KMT2AP2RX7
SCHEMBL8630959 0.81 ALDH1A1 (0.41) P2RX7
SCHEMBL9026489 0.78 SLC6A3 (0.39) P2RX7
SCHEMBL8629431 0.76 BRD4 (0.39) P2RX7HDAC4HDAC3HDAC7HDAC8
SCHEMBL9025789 0.76 SLC6A3 (0.37)
SCHEMBL16541153 0.71 KDM4E (0.42) MEN1KMT2AP2RX7
SCHEMBL28036653 0.70 P2RX7 (0.35) P2RX7
SCHEMBL27918522 0.69 MEN1 (0.50) MEN1KMT2A
SCHEMBL27854073 0.68 MEN1 (0.49) MEN1KMT2A
SCHEMBL27668701 0.68 MEN1 (0.49) MEN1KMT2A

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
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed