SCHEMBL7306882

SCHEMBL7306882

CN(C)C(=O)Cc1cc(OC(=O)c2ccc(NC(=N)N)cc2)ccc1C(=O)O.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 7/20 0.42
ADRA1A known ✓ P35348 1/20 0.36
PRSS1 P07477 10/20 0.42
KLK1 P06870 6/20 0.42
F10 P00742 3/20 0.41
C1R P00736 1/20 0.41
KLKB1 P03952 1/20 0.41
FTO Q9C0B1 1/20 0.41
KMT2A Q03164 2/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
PLG P00747 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
ACR P10323 2/20 0.37
TMPRSS15 P98073 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 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
SCHEMBL7307545 0.90 FTO (0.44) PRSS1F2KLK1F10C1R
SCHEMBL7307765 0.88 FTO (0.42) PRSS1F2KLK1F10C1R
SCHEMBL7612395 0.86 PRSS1 (0.42) PRSS1F2KLK1F10C1R
SCHEMBL1647138 0.85 KMT2A (0.40) PRSS1F2F10KLKB1KMT2A
SCHEMBL1646132 0.85 PRSS1 (0.40) PRSS1F2KLK1F10C1R
SCHEMBL7308783 0.85 PRSS1 (0.41) PRSS1F2KLK1F10C1R
SCHEMBL1648212 0.83 PRSS1 (0.40) PRSS1F2F10FTOKMT2A
SCHEMBL11305428 0.83 PRSS1 (0.56) PRSS1F2KLK1F10C1R
SCHEMBL7314172 0.82 PRSS1 (0.40) PRSS1F2KLK1KMT2APLAU
SCHEMBL20008677 0.81 KMT2A (0.39) PRSS1F2KLK1F10C1R

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