SCHEMBL7315833

SCHEMBL7315833

CN(C)C(=O)CC(C)(C(=O)O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O

nearest known ligand 0.42

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 6/20 0.42
ADRA1A known ✓ P35348 1/20 0.36
PRSS1 P07477 8/20 0.42
KLK1 P06870 6/20 0.42
KMT2A Q03164 3/20 0.40
ACR P10323 3/20 0.39
TMPRSS15 P98073 2/20 0.39
MEN1 O00255 2/20 0.38
C1R P00736 1/20 0.38
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FTO Q9C0B1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL7310900 0.96 KMT2A (0.43) PRSS1KLK1F2KMT2AACR
SCHEMBL1399025 0.83 ACR (0.41) PRSS1KLK1F2KMT2AACR
SCHEMBL11304151 0.81 ACR (0.48) PRSS1KLK1F2KMT2AACR
SCHEMBL11305428 0.81 PRSS1 (0.56) PRSS1KLK1F2KMT2AACR
SCHEMBL7306887 0.81 PRSS1 (0.56) PRSS1KLK1F2KMT2AACR
SCHEMBL1399026 0.79 KMT2A (0.43) PRSS1KMT2AACRTMPRSS15MEN1
SCHEMBL7309964 0.79 ACR (0.42) PRSS1KLK1F2KMT2AACR
SCHEMBL1399027 0.78 PRSS1 (0.43) PRSS1KLK1F2KMT2AACR
SCHEMBL11308053 0.77 KMT2A (0.50) PRSS1F2KMT2AACRMEN1
SCHEMBL1996805 0.77 PRSS1 (0.60) PRSS1KMT2AACRMEN1MAPT

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