SCHEMBL8917762

SCHEMBL8917762

COc1ccc2c(ccc3c(C(F)F)nn(NS(=O)(=O)c4ccccc4)c32)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.38
PTGS2 P35354 1/20 0.35
HTR6 P50406 4/20 0.35
SLC40A1 Q9NP59 2/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
KDM1A O60341 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL8916155 0.89 HTR6 (0.36) PTGS2HTR6SLC40A1MEN1KMT2A
SCHEMBL8916300 0.80 MEN1 (0.39) HTR6SLC40A1MEN1KMT2APOLB
SCHEMBL8920824 0.80 SLC40A1 (0.37) SLC40A1POLBHTTALDH1A1GAA
SCHEMBL8918176 0.78 CCR3 (0.36) SLC40A1MEN1KMT2AHTT
SCHEMBL8917377 0.76 ALDH1A1 (0.36) HTR6KMT2AALDH1A1
SCHEMBL8917696 0.75 GAA (0.39) HTR6MEN1KMT2APOLBKDM4E
SCHEMBL8918871 0.75
SCHEMBL8918039 0.74 HSD17B1 (0.35) SLC40A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8918357 0.74 HPGD (0.37) PTGS2MEN1KMT2APOLBHTT
SCHEMBL8917789 0.74 HTR6 (0.38) HTR6MEN1KMT2AKDM4EALDH1A1

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed