SCHEMBL7562995

SCHEMBL7562995

COC(=O)c1c(O)ccc2cc(C(=N)N)ccc12.CS(=O)(=O)O

nearest known ligand 0.52

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 6/20 0.41
LCK P06239 1/20 0.52
FTO Q9C0B1 1/20 0.48
PLAU P00749 11/20 0.45
PLG P00747 5/20 0.43
KLKB1 P03952 5/20 0.41
PRSS1 P07477 5/20 0.41
F10 P00742 2/20 0.41
KLK1 P06870 2/20 0.41
C1R P00736 1/20 0.41
PLAT P00750 4/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
F12 P00748 1/20 0.40
XDH P47989 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL7562843 0.95 LCK (0.57) LCKFTOPLAUPLGF2
SCHEMBL7563372 0.87 PLAU (0.47) LCKFTOPLAUPLGF2
SCHEMBL7562999 0.83 PLAU (0.46) LCKFTOPLAUPLGF2
SCHEMBL7564845 0.80 FTO (0.43) LCKFTOPLAUPLGF2
SCHEMBL7563090 0.78 FTO (0.48) FTOPLAUPLGF2KLKB1
SCHEMBL7564455 0.77 KDM4E (0.51) LCKFTOPLAUPLGF2
Hydrochloric Acid SCHEMBL7568561 0.75 F2 (0.44) LCKPLAUPLGF2KLKB1
SCHEMBL29114732 0.75 F12 (0.43) LCKFTOPLAUPLGF2
SCHEMBL15902277 0.75 PLAU (0.65) LCKFTOPLAUPLGF2
SCHEMBL7332581 0.73 MEN1 (0.56) PLAUF2PRSS1F10PLAT

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