SCHEMBL7654552

SCHEMBL7654552

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

nearest known ligand 0.58

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 8/20 0.58
F10 P00742 9/20 0.58
PLAU P00749 5/20 0.58
PLAT P00750 5/20 0.58
F7 P08709 4/20 0.57
F3 P13726 4/20 0.57
PLG P00747 3/20 0.57
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
KLK1 P06870 1/20 0.50
KLK5 Q9Y337 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7664212 1.00 F10 (0.58) F10F2PLAUPLATF7
SCHEMBL7660066 0.96 F2 (0.62) F10F2PLAUPLATF7
SCHEMBL7654431 0.96 F2 (0.62) F10F2PLAUPLATF7
SCHEMBL7665817 0.93 F10 (0.65) F10F2PLAUPLATF7
SCHEMBL7652087 0.93 F2 (0.65) F10F2PLAUPLATF7
SCHEMBL7655153 0.91 F2 (0.56) F10F2PLAUPLATF7
SCHEMBL7656696 0.91 F2 (0.56) F10F2PLAUPLATF7
SCHEMBL7660688 0.91 F2 (0.56) F10F2PLAUPLATF7
SCHEMBL7658906 0.91 F2 (0.56) F10F2PLAUPLATF7
SCHEMBL7660557 0.90 F10 (0.55) F10F2PLAUPLATF7

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