SCHEMBL7656824

SCHEMBL7656824

CCOC(=O)COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1.CS(=O)(=O)O

nearest known ligand 0.56

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 16)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 16/20 0.56
F10 P00742 16/20 0.56
F7 P08709 13/20 0.56
F3 P13726 12/20 0.56
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
PLG P00747 6/20 0.51
PLAU P00749 5/20 0.51
PLAT P00750 4/20 0.51
KLK1 P06870 2/20 0.46
KLK5 Q9Y337 2/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
F9 P00740 1/20 0.43
F11 P03951 1/20 0.43

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
SCHEMBL7664822 0.97 F2 (0.51) F2F10F7F3PRSS1
SCHEMBL7853085 0.97 F2 (0.59) F2F10F7F3PRSS1
SCHEMBL7656940 0.93 F2 (0.54) F2F10F7F3PRSS1
SCHEMBL7658925 0.90 F2 (0.60) F2F10F7F3PRSS1
SCHEMBL7664830 0.88 F10 (0.49) F2F10F7F3PRSS1
SCHEMBL7658331 0.87 F2 (0.52) F2F10F7F3PRSS1
SCHEMBL7659062 0.87 F2 (0.55) F2F10F7F3PRSS1
SCHEMBL7655878 0.86 F10 (0.59) F2F10F7F3PRSS1
SCHEMBL7657730 0.86 F10 (0.59) F2F10F7F3PRSS1
SCHEMBL7659774 0.86 F2 (0.62) F2F10F7F3PRSS1

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-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed