SCHEMBL20780873

SCHEMBL20780873

CC(=O)c1cc(C(=O)I)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
KMT2A Q03164 3/20 0.35
MAPT P10636 4/20 0.33
GLA P06280 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
HSP90AB1 P08238 1/20 0.32
SMN1; SMN2 Q16637 7/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 6/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 3/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 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
SCHEMBL1809442 0.81 HCAR2 (0.50) HCAR2SCDSCD5KMT2AMAPT
SCHEMBL15779831 0.79 SCD5 (0.42) HCAR2SCDSCD5KMT2AMAPT
SCHEMBL14882527 0.74
SCHEMBL1613078 0.74
SCHEMBL16908080 0.74
SCHEMBL31123940 0.72 HCAR2 (0.61) HCAR2KMT2AMAPTGLAL3MBTL1
SCHEMBL10092812 0.72
SCHEMBL1641444 0.72
SCHEMBL12514039 0.71 HCAR2 (0.39) HCAR2SCDSCD5KMT2AMAPT
SCHEMBL8027373 0.69 ALDH1A1 (0.47) HCAR2SCDSCD5KMT2AHTT

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-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed