SCHEMBL7308784

SCHEMBL7308784

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

nearest known ligand 0.49

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 5/20 0.49
ADRA1A known ✓ P35348 1/20 0.42
KLK1 P06870 5/20 0.49
PRSS1 P07477 5/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SLC22A2 O15244 1/20 0.42
TMPRSS2 O15393 1/20 0.42
HPN P05981 1/20 0.42
PRSS2 P07478 1/20 0.42
CTSL P07711 1/20 0.42
CNR1 P21554 1/20 0.42
PRSS3 P35030 1/20 0.42
OPRD1 P41143 1/20 0.42
HGFAC Q04756 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42

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
SCHEMBL1646246 0.96 POLB (0.46) F2KLK1PRSS1POLBKMT2A
SCHEMBL7306887 0.88 PRSS1 (0.56) F2KLK1PRSS1POLBKMT2A
SCHEMBL11275532 0.85 SAE1 (0.45) F2KLK1PRSS1POLBKMT2A
SCHEMBL11275527 0.85 SAE1 (0.45) F2KLK1PRSS1POLBKMT2A
Camostat SCHEMBL871583 0.82 PRSS1 (0.72) F2KLK1PRSS1POLBKMT2A
SCHEMBL9232530 0.81 PRSS1 (0.51) F2KLK1PRSS1KMT2AMEN1
SCHEMBL9235641 0.81 PRSS1 (0.51) F2KLK1PRSS1KMT2AMEN1
SCHEMBL11310812 0.81 MAPT (0.46) PRSS1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL11310808 0.81 MAPT (0.46) PRSS1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL11275960 0.81 KMT2A (0.59) POLBKMT2AMEN1ALDH1A1KDM4E

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