SCHEMBL7653208

SCHEMBL7653208

COCCOc1cccc2cc(-c3ccccc3C(=O)Nc3ccc(C(=N)N)cc3)c(C(=O)O)cc12.CS(=O)(=O)O

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 12/20 0.51
F10 P00742 15/20 0.51
F7 P08709 9/20 0.51
F3 P13726 7/20 0.51
PRSS1 P07477 4/20 0.51
PRSS2 P07478 4/20 0.51
PRSS3 P35030 4/20 0.51
KLK1 P06870 3/20 0.48
KLK5 Q9Y337 3/20 0.48
PLAU P00749 6/20 0.46
PLAT P00750 4/20 0.46
F9 P00740 2/20 0.45
F11 P03951 2/20 0.45
PLG P00747 6/20 0.43
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7654767 0.97 KLK1 (0.48) F10F2F7F3PRSS1
SCHEMBL7655097 0.97 F10 (0.54) F10F2F7F3PRSS1
SCHEMBL7655653 0.93 KLK1 (0.52) F10F2F7F3PRSS1
SCHEMBL7653220 0.91 KLK1 (0.48) F10F2F7F3PRSS1
SCHEMBL7664312 0.91 KLK1 (0.55) F10F2F7F3PRSS1
SCHEMBL7655175 0.90 F2 (0.54) F10F2F7F3PRSS1
SCHEMBL7654776 0.89 KLK1 (0.47) F10F2F7F3PRSS1
SCHEMBL7663295 0.88 F10 (0.53) F10F2F7F3PRSS1
SCHEMBL7657229 0.88 KLK1 (0.55) F10F2F7F3PRSS1
SCHEMBL7661840 0.88 KLK1 (0.55) F10F2F7F3PRSS1

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