SCHEMBL7315839

SCHEMBL7315839

CN(C)C(=O)CC(Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1)C(=O)O.CS(=O)(=O)O

nearest known ligand 0.46

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 2/20 0.46
ADRA1A known ✓ P35348 1/20 0.39
PRSS1 P07477 12/20 0.46
KLK1 P06870 3/20 0.46
KMT2A Q03164 2/20 0.42
TMPRSS15 P98073 10/20 0.41
HPN P05981 2/20 0.39
SLC22A2 O15244 1/20 0.39
TMPRSS2 O15393 1/20 0.39
PRSS2 P07478 1/20 0.39
CTSL P07711 1/20 0.39
CNR1 P21554 1/20 0.39
PRSS3 P35030 1/20 0.39
OPRD1 P41143 1/20 0.39
HGFAC Q04756 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
ACR P10323 1/20 0.39
PLAU P00749 1/20 0.38

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
SCHEMBL7310906 0.96 KMT2A (0.44) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL1399027 0.85 PRSS1 (0.43) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL11305428 0.84 PRSS1 (0.56) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL1399029 0.81 KMT2A (0.44) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL7306887 0.80 PRSS1 (0.56) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL11309396 0.80 PRSS1 (0.52) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL1399030 0.80 PRSS1 (0.42) PRSS1KLK1F2KMT2AHPN
Camostat SCHEMBL871583 0.79 PRSS1 (0.72) PRSS1KLK1F2KMT2AHPN
SCHEMBL7315844 0.79 PRSS1 (0.41) PRSS1KLK1F2KMT2ATMPRSS15
SCHEMBL11417275 0.79 PRSS1 (0.67) PRSS1KLK1F2KMT2ATMPRSS15

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