SCHEMBL7309972

SCHEMBL7309972

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

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 1/20 0.37
F2 known ✓ P00734 1/20 0.37
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.45
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
PRSS1 P07477 5/20 0.41
KLK1 P06870 2/20 0.41
TMPRSS15 P98073 3/20 0.40
ACR P10323 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
FTO Q9C0B1 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL1645315 0.96 MAPT (0.51) MAPTPOLBLDHALDHBPRSS1
SCHEMBL7309976 0.89 KMT2A (0.38) MAPTPOLBLDHALDHBPRSS1
SCHEMBL1399027 0.87 PRSS1 (0.43) LDHALDHBPRSS1KLK1TMPRSS15
SCHEMBL5634875 0.85 MAPT (0.46) MAPTPOLBPRSS1KLK1TMPRSS15
SCHEMBL1399029 0.83 KMT2A (0.44) LDHALDHBPRSS1KLK1TMPRSS15
SCHEMBL9236101 0.82 TMPRSS15 (0.46) PRSS1KLK1TMPRSS15ACRSMN1; SMN2
SCHEMBL9235375 0.82 TMPRSS15 (0.46) PRSS1KLK1TMPRSS15ACRSMN1; SMN2
SCHEMBL9233756 0.82 TMPRSS15 (0.46) PRSS1KLK1TMPRSS15ACRSMN1; SMN2
SCHEMBL9231748 0.82 ACR (0.40) MAPTPRSS1KLK1TMPRSS15ACR
SCHEMBL9235998 0.82 ACR (0.40) MAPTPRSS1KLK1TMPRSS15ACR

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