SCHEMBL7307545

SCHEMBL7307545

CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc(C(=O)O)c(CC(N)=O)c2)cc1

nearest known ligand 0.44

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 7/20 0.42
FTO Q9C0B1 1/20 0.44
PRSS1 P07477 8/20 0.42
KLK1 P06870 3/20 0.42
F10 P00742 6/20 0.42
C1R P00736 1/20 0.42
KLKB1 P03952 1/20 0.42
ACR P10323 2/20 0.39
TMPRSS15 P98073 1/20 0.39
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PLG P00747 1/20 0.39
KMT2A Q03164 3/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL1646132 0.95 PRSS1 (0.40) PRSS1KLK1F2F10C1R
SCHEMBL7307765 0.91 FTO (0.42) FTOPRSS1KLK1F2F10
SCHEMBL7306882 0.90 PRSS1 (0.42) FTOPRSS1KLK1F2F10
SCHEMBL1648212 0.87 PRSS1 (0.40) FTOPRSS1F2F10ACR
SCHEMBL1647138 0.82 KMT2A (0.40) PRSS1F2F10KLKB1ACR
SCHEMBL7314172 0.80 PRSS1 (0.40) PRSS1KLK1F2ACRKMT2A
SCHEMBL11417275 0.78 PRSS1 (0.67) FTOPRSS1KLK1F2ACR
Nafamostat SCHEMBL1568755 0.77 FTO (0.70) FTOPRSS1KLK1F2F10
Nafamostat SCHEMBL564665 0.77 FTO (0.70) FTOPRSS1KLK1F2F10
Nafamostat SCHEMBL29832433 0.77 FTO (0.70) FTOPRSS1KLK1F2F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US disclosed