Sugi Predict

Sugi Predict / Compounds / SCHEMBL14132003

SCHEMBL14132003

SCHEMBL14132003

N=C(N)c1cccc(OCCNC(=O)c2ccc(C(=O)N3CCCCC3)cc2)c1

nearest known ligand 0.98

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.98
▸ PRSS1 P07477 5/20 0.64
▸ F2 P00734 1/20 0.64
▸ PLG P00747 1/20 0.58
▸ PROC P04070 1/20 0.58
▸ KLK1 P06870 1/20 0.58
▸ KLKB1 P03952 2/20 0.53
▸ POLB P06746 1/20 0.49

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
SCHEMBL14132262 0.99 F10 (1.00) F10PRSS1F2PLGPROC
Trifluoroacetic Acid SCHEMBL5105095 0.94 F10 (0.87) F10PRSS1F2PLGPROC
Trifluoroacetic Acid SCHEMBL3901365 0.93 F10 (0.89) F10PRSS1F2PLGPROC
SCHEMBL14132286 0.90 F10 (0.83) F10PRSS1F2PLGPROC
SCHEMBL14132282 0.90 F10 (0.83) F10PRSS1F2PLGPROC
SCHEMBL3904479 0.88 F10 (0.76) F10PRSS1F2PLGPROC
SCHEMBL13901313 0.87 F10 (0.78) F10PRSS1F2PLGPROC
SCHEMBL7477366 0.87 F10 (0.78) F10PRSS1F2
SCHEMBL14132304 0.86 F10 (1.00) F10PRSS1F2PLGPROC
SCHEMBL7478383 0.86 F10 (0.76) F10PRSS1

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-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed