SCHEMBL8916155

SCHEMBL8916155

COc1ccc2c(ccc3c(C(F)F)nn(NS(=O)(=O)c4ccccc4)c32)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
SLC40A1 Q9NP59 2/20 0.34
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 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
SCHEMBL8917762 0.89 KAT6A (0.38) HTR6ALDH1A1POLBMEN1KMT2A
SCHEMBL8920824 0.85 SLC40A1 (0.37) ALDH1A1POLBSLC40A1HTT
SCHEMBL8917377 0.84 ALDH1A1 (0.36) HTR6ALDH1A1KMT2A
SCHEMBL8918871 0.82
SCHEMBL8916300 0.80 MEN1 (0.39) HTR6POLBMEN1KMT2ASLC40A1
SCHEMBL8918137 0.78 SLC40A1 (0.40) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL8918176 0.74 CCR3 (0.36) MEN1KMT2ASLC40A1HTT
SCHEMBL8917696 0.74 GAA (0.39) HTR6ALDH1A1TSHRPOLBMEN1
SCHEMBL8918039 0.74 HSD17B1 (0.35) ALDH1A1MEN1KMT2ASLC40A1KDM4E
SCHEMBL8918357 0.73 HPGD (0.37) ALDH1A1POLBMEN1KMT2AHTT

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