SCHEMBL9795652

SCHEMBL9795652

Cc1ccc(N2CC(=O)NC(=O)N2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 3/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
LMNA P02545 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL9795750 0.86 ALOX5 (0.35) MAPTALOX5
SCHEMBL9795683 0.84 CMA1 (0.36) KMT2AMEN1ALDH1A1MAPTCMA1
SCHEMBL9795754 0.81 ALOX5 (0.54) ADRB1MAPTCTSGCMA1ALOX5
SCHEMBL9795641 0.79 ALOX5 (0.60) ADRB1MAPTHSD17B10ALOX5
SCHEMBL9795608 0.78 ALOX5 (0.40) ALDH1A1MAPTNPSR1HSD17B10ALOX5
SCHEMBL9795696 0.77 BPTF (0.35) KMT2AMEN1ALDH1A1TSHRALOX5
SCHEMBL9795690 0.75 ALOX5 (0.40) ALDH1A1GAAMAPTCYP3A4CYP2C19
SCHEMBL9795576 0.75 ALOX5 (0.54) ADRB1KMT2AMEN1ALDH1A1CMA1
SCHEMBL9795578 0.75 MMP13 (0.40) KMT2AMEN1GAANPSR1CMA1
SCHEMBL9795810 0.74 MGLL (0.42) KMT2AMEN1ALDH1A1CYP2C19HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed