SCHEMBL7564845

SCHEMBL7564845

COC(=O)Cc1c(O)ccc2cc(C(=N)N)ccc12.CS(=O)(=O)O

nearest known ligand 0.43

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 5/20 0.38
FTO Q9C0B1 1/20 0.43
LCK P06239 1/20 0.43
PLAU P00749 11/20 0.42
PLG P00747 3/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
F10 P00742 3/20 0.38
ST14 Q9Y5Y6 1/20 0.38
KLKB1 P03952 3/20 0.38
PRSS1 P07477 3/20 0.38
PLAT P00750 3/20 0.38
F12 P00748 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
C1R P00736 1/20 0.37
KLK1 P06870 1/20 0.37

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
SCHEMBL7564455 0.88 KDM4E (0.51) FTOLCKPLAUPLGALDH1A1
SCHEMBL7564853 0.84 PLAU (0.43) FTOPLAUPLGF2KLKB1
SCHEMBL7568115 0.81 PLAU (0.47) LCKPLAUPLGALDH1A1GAA
Hydrochloric Acid SCHEMBL7561439 0.80 PLAU (0.46) LCKPLAUPLGALDH1A1GAA
SCHEMBL7562995 0.80 LCK (0.52) FTOLCKPLAUPLGF2
SCHEMBL7564449 0.79 FTO (0.45) FTOPLAUPLGALDH1A1F2
SCHEMBL22132890 0.77 ALDH1A1 (0.47) LCKALDH1A1GAAGFERKDM4E
SCHEMBL7563372 0.77 PLAU (0.47) FTOLCKPLAUPLGF2
SCHEMBL7562958 0.75 F12 (0.45) LCKPLAUPLGF2F10
SCHEMBL7567867 0.75 RXFP1 (0.53) ALDH1A1KDM4E

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