SCHEMBL7309964

SCHEMBL7309964

CNC(=O)C(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 18)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 3/20 0.38
ACR P10323 4/20 0.42
TMPRSS15 P98073 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PRSS1 P07477 6/20 0.40
KLK1 P06870 3/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FTO Q9C0B1 1/20 0.39
C1R P00736 1/20 0.38
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38
TMPRSS6 Q8IU80 2/20 0.36
PARP10 Q53GL7 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL1645313 0.96 KMT2A (0.44) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL1399025 0.87 ACR (0.41) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL2917664 0.84 ACR (0.40) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL1399026 0.82 KMT2A (0.43) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL1996805 0.80 PRSS1 (0.60) ACRKMT2AMEN1PRSS1MAPT
SCHEMBL4597132 0.79 MAPT (0.41) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL11313701 0.79 KMT2A (0.54) ACRKMT2AMEN1PRSS1SMN1; SMN2
SCHEMBL7315833 0.79 PRSS1 (0.42) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL11304744 0.77 ACR (0.47) ACRTMPRSS15KMT2AMEN1PRSS1
SCHEMBL10956570 0.77 KMT2A (0.56) ACRKMT2AMEN1PRSS1MAPT

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