SCHEMBL7279255

SCHEMBL7279255

CS(=O)(=O)O.N=C(N)c1ccc2cc(OC(=O)c3ccc(CNC(=O)CC(CC(=O)O)=C4CCCCC4)o3)ccc2c1

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 3)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 19/20 0.47
TMPRSS15 P98073 19/20 0.47
FTO Q9C0B1 1/20 0.45

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
Hydrochloric Acid SCHEMBL7276917 0.94 PRSS1 (0.49) PRSS1TMPRSS15
SCHEMBL7276273 0.90 PRSS1 (0.54) PRSS1TMPRSS15FTO
SCHEMBL7279367 0.85 PRSS1 (0.55) PRSS1TMPRSS15FTO
Hydrochloric Acid SCHEMBL7286807 0.85 PRSS1 (0.57) PRSS1TMPRSS15
SCHEMBL7279019 0.84 PRSS1 (0.53) PRSS1TMPRSS15FTO
SCHEMBL10855686 0.83 PRSS1 (0.56) PRSS1TMPRSS15FTO
SCHEMBL7286071 0.80 PRSS1 (0.49) PRSS1TMPRSS15FTO
Hydrochloric Acid SCHEMBL7284772 0.80 PRSS1 (0.59) PRSS1TMPRSS15
Bromide SCHEMBL7276348 0.80 PRSS1 (0.59) PRSS1TMPRSS15
SCHEMBL7279068 0.80 PRSS1 (0.50) PRSS1TMPRSS15FTO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532267-A Amidinonaphthyl furancarboxylate derivatives and acid addition salts therof TORII & CO., LTD. (JP) 1996-07-02 US claimed
US-5532267-A Amidinonaphthyl furancarboxylate derivatives and acid addition salts therof TORII & CO., LTD. (JP) 1996-07-02 US disclosed
EP-0556024-B1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO LTD (JP) 1995-08-02 EP disclosed
EP-0556024-A1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO., LTD. (JP) 1993-08-18 EP disclosed