SCHEMBL7564455

SCHEMBL7564455

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

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 4/20 0.40
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PLAU P00749 10/20 0.44
FTO Q9C0B1 1/20 0.42
PLG P00747 6/20 0.40
PRSS1 P07477 6/20 0.40
PLAT P00750 5/20 0.40
KLKB1 P03952 4/20 0.40
KLK1 P06870 3/20 0.40
ST14 Q9Y5Y6 1/20 0.40
LCK P06239 1/20 0.39
F12 P00748 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
F10 P00742 3/20 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
SCHEMBL7564845 0.88 FTO (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7568115 0.83 PLAU (0.47) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL7561439 0.82 PLAU (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7563372 0.81 PLAU (0.47) PLAUFTOPLGPRSS1PLAT
SCHEMBL7564461 0.81 PLAU (0.42) PLAUFTOPLGPRSS1PLAT
SCHEMBL7562225 0.77 FTO (0.46) PLAUFTOPLGPRSS1PLAT
SCHEMBL7562958 0.77 F12 (0.45) PLAUPLGPRSS1PLATF2
SCHEMBL7562995 0.77 LCK (0.52) PLAUFTOPLGPRSS1PLAT
Hydrochloric Acid SCHEMBL7561887 0.76 F12 (0.44) PLAUPLGPRSS1PLATF2
SCHEMBL18720234 0.72 F12 (0.46) KDM4EALDH1A1GAAHSD17B10PLAU

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