SCHEMBL7424872

SCHEMBL7424872

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PRSS1 P07477 7/20 0.48
TPSD1 Q9BZJ3 7/20 0.48
TPSG1 Q9NRR2 7/20 0.48
F2 P00734 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
GLA P06280 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL7436446 0.93 TPSAB1 (0.47) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7506036 0.86 TPSAB1 (0.65) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7499097 0.85 TPSAB1 (0.66) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7508800 0.85 TPSAB1 (0.66) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7570914 0.85 TPSAB1 (0.66) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7504794 0.85 TPSAB1 (0.66) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7419017 0.83 TPSAB1 (0.42) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7452362 0.83 TPSAB1 (0.48) TPSAB1MEN1KMT2APRSS1TPSD1
SCHEMBL7447705 0.83 TPSAB1 (0.67) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL7419019 0.82 MEN1 (0.52) TPSAB1MEN1KMT2APRSS1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed