SCHEMBL7563372

SCHEMBL7563372

CS(=O)(=O)O.N=C(N)c1ccc2c(C(=O)O)c(O)ccc2c1

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 4/20 0.43
PLAU P00749 12/20 0.47
FTO Q9C0B1 1/20 0.45
PLG P00747 6/20 0.43
PRSS1 P07477 5/20 0.43
KLKB1 P03952 4/20 0.43
KLK1 P06870 3/20 0.43
PLAT P00750 3/20 0.43
F12 P00748 1/20 0.42
LCK P06239 1/20 0.42
ST14 Q9Y5Y6 1/20 0.39
F10 P00742 2/20 0.39
ERN1 O75460 1/20 0.39
PRSS2 P07478 1/20 0.38
PRSS3 P35030 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
SCHEMBL7562995 0.87 LCK (0.52) PLAUFTOPLGPRSS1F2
SCHEMBL7562843 0.81 LCK (0.57) PLAUFTOPLGPRSS1F2
SCHEMBL7564455 0.81 KDM4E (0.51) PLAUFTOPLGPRSS1F2
SCHEMBL7563375 0.80 PLAU (0.43) PLAUFTOPLGPRSS1F2
SCHEMBL3914003 0.78 KDM4E (0.53) LCKERN1
SCHEMBL7332926 0.77 ALDH1A1 (0.49) PLAUFTOPLGF2KLK1
SCHEMBL7564845 0.77 FTO (0.43) PLAUFTOPLGPRSS1F2
Hydrochloric Acid SCHEMBL3914780 0.77 KDM4E (0.52) LCKERN1
SCHEMBL7563955 0.76 FTO (0.48) PLAUFTOPLGPRSS1F2
SCHEMBL7342004 0.74 F12 (0.77) PLAUFTOPLGPRSS1F2

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-0802179-B1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO LTD (JP) 2002-08-21 EP disclosed
US-5885990-A FIBRINOLYSIS PROMOTING ACTION; THROMBOLYSIS ACTION TORII PHARMACEUTICAL CO., LTD. (JP) 1999-03-23 US disclosed
EP-0802179-A1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO., LTD. (JP) 1997-10-22 EP disclosed