Sugi Predict

Sugi Predict / Compounds / SCHEMBL7350464

SCHEMBL7350464

SCHEMBL7350464

N=C(N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.59
▸ F10 P00742 9/20 0.56
▸ PLAU P00749 2/20 0.54
▸ PLG P00747 1/20 0.53
▸ HPN P05981 2/20 0.53
▸ ST14 Q9Y5Y6 2/20 0.53
▸ HGFAC Q04756 1/20 0.53

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
SCHEMBL6971395 1.00 F2 (0.59) F2F10PLAUPLGHPN
SCHEMBL7309132 0.92 F2 (0.58) F2F10PLAUPLGHPN
SCHEMBL7342625 0.91 F2 (0.66) F2F10
SCHEMBL7335469 0.91 F2 (0.66) F2F10
SCHEMBL7342607 0.91 F2 (0.66) F2F10
SCHEMBL7339840 0.90 F2 (0.58) F2
SCHEMBL7350482 0.89 F2 (0.57) F2F10
SCHEMBL6971414 0.89 F2 (0.57) F2F10
SCHEMBL7341625 0.89 F2 (0.59) F2
SCHEMBL7340271 0.89 F2 (0.59) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 — — EP claimed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 — — US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 — — EP disclosed