SCHEMBL7323561

SCHEMBL7323561

CS(=O)(=O)O.N=C(N)c1ccc(O)c(Cl)c1

nearest known ligand 0.44

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 2/20 0.40
F10 P00742 7/20 0.44
PRSS1 P07477 5/20 0.44
PRSS2 P07478 5/20 0.44
PRSS3 P35030 5/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PLAU P00749 3/20 0.41
PLAT P00750 2/20 0.40
PLG P00747 1/20 0.40
FTO Q9C0B1 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
UBE2N P61088 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL9500293 0.88 LMNA (0.50) F10PRSS1PRSS2PRSS3HSP90AA1
SCHEMBL7330212 0.81 PRSS1 (0.49) F10PRSS1PRSS2PRSS3PLAU
SCHEMBL7332581 0.78 MEN1 (0.56) F10PRSS1HSP90AA1HSP90AB1PLAU
Trifluoroacetic Acid SCHEMBL13269478 0.78 KLK1 (0.50) F10HSP90AA1HSP90AB1PLAUF2
SCHEMBL7332926 0.78 ALDH1A1 (0.49) F10PLAUF2PLATPLG
SCHEMBL7329834 0.75 PRSS1 (0.56) F10PRSS1PRSS2PRSS3PLAU
SCHEMBL7323564 0.74 F2 (0.46) F10PRSS1PRSS2PRSS3PLAU
SCHEMBL7323111 0.74 F10 (0.48) F10PRSS1PRSS2PRSS3PLAU
SCHEMBL29568370 0.73 F12 (0.77) PRSS1PLAUF2PLATPLG
SCHEMBL29934139 0.73 F12 (0.77) PRSS1PLAUF2PLATPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed