SCHEMBL8700526

SCHEMBL8700526

CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)NC(=O)c1cccc(-c2cccc(C(=O)N=C(N)N)c2)c1

nearest known ligand 0.45

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
SLC9A1 P19634 12/20 0.45
SLC9A2 Q9UBY0 1/20 0.41
FURIN P09958 1/20 0.41

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
SCHEMBL7827609 0.88 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL27400137 0.88 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL8705777 0.85 SLC9A1 (0.45) SLC9A1
SCHEMBL8703819 0.83 KAT6A (0.53)
SCHEMBL8444455 0.82 DHODH (0.43) SLC9A1
SCHEMBL7822727 0.82 SLC9A1 (0.60) SLC9A1
SCHEMBL8699104 0.79 SERPINE1 (0.47)
SCHEMBL27406342 0.79 SLC9A1 (0.46) SLC9A1SLC9A2
SCHEMBL8444326 0.78 SLC9A1 (0.48) SLC9A1
SCHEMBL5175529 0.78 HDAC8 (0.62)

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed