SCHEMBL7428892

SCHEMBL7428892

N=C(N)c1ccc(CNC(CO)C(=O)NCC(=O)NCCc2ccc(O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.54
F7 P08709 5/20 0.42
ADRA1B P35368 4/20 0.42
F2 P00734 3/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
SFN P31947 2/20 0.41
MASP2 O00187 1/20 0.40
F10 P00742 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 1/20 0.38

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
Hydrochloric Acid SCHEMBL6365976 0.99 ST14 (0.53) ST14F7ADRA1BF2ITGB3
Hydrochloric Acid SCHEMBL6365784 0.91 ST14 (0.53) ST14F7ADRA1BF2ITGB3
SCHEMBL7116195 0.86 ST14 (0.55) ST14F7F2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7539002 0.85 ST14 (0.54) ST14F7F2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6372117 0.82 KMT2A (0.44) ST14F2MASP2F10NPC1
SCHEMBL7428875 0.82 ABCG2 (0.37) SFNKDM4EF13A1
Hydrochloric Acid SCHEMBL6367551 0.81 TPSAB1 (0.60) ST14F7F2MASP2F10
Hydrochloric Acid SCHEMBL6372032 0.80 ST14 (0.61) ST14F7ADRA1BF2ITGB3
Hydrochloric Acid SCHEMBL6366354 0.80 F7 (0.44) ST14F7ADRA1BF2F10
Hydrochloric Acid SCHEMBL6364925 0.79 ITGB3 (0.46) ST14F2ITGB3ITGA2BSFN

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
EP-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 EP disclosed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 WO disclosed