SCHEMBL7440336

SCHEMBL7440336

CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)NC(Cc2cccc(Oc3ccccc3)c2)C(=O)NN2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 2/20 0.41
F10 P00742 9/20 0.44
PLAU P00749 4/20 0.41
PLG P00747 2/20 0.41
ST14 Q9Y5Y6 1/20 0.41
USP30 Q70CQ3 1/20 0.41
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 2/20 0.39
F7 P08709 1/20 0.39
FAAH O00519 1/20 0.39
PLAT P00750 1/20 0.39

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
SCHEMBL7441461 0.92 PLAU (0.48) F10PLAUPLGF2ST14
Iodide SCHEMBL7430202 0.74 F2 (0.53) F10PLAUF2PRSS1F7
SCHEMBL7546953 0.70 MME (0.45) F10F2SMN1; SMN2PRSS1F7
SCHEMBL7439860 0.70 F10 (0.55) F10PLAUF2PRSS1F7
SCHEMBL7439848 0.70 F10 (0.55) F10PLAUF2PRSS1F7
SCHEMBL7268256 0.68 MEN1 (0.52) F10PLAUPLGUSP30PRSS1
SCHEMBL5163894 0.68 CYP1A2 (0.55) F10PLAUPLGUSP30SMN1; SMN2
SCHEMBL7275364 0.68 CA2 (0.62)
Hydrochloric Acid SCHEMBL7434443 0.67 CCR8 (0.62) PLAUPLAT
Hydrochloric Acid SCHEMBL7434451 0.67 CCR8 (0.62) PLAUPLAT

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-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP disclosed