SCHEMBL7426992

SCHEMBL7426992

CS(=O)(=O)O.N=C(NO)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.36

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
PDGFRB known ✓ P09619 2/20 0.34
BPTF Q12830 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA1 P30542 3/20 0.34
SLC9A1 P19634 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL7439221 0.91 MEN1 (0.35) ALDH1A1KDM4EL3MBTL1TDP1PDGFRB
SCHEMBL7434796 0.87 SLC9A1 (0.41) ALDH1A1KDM4EGAASLC9A1LMNA
SCHEMBL7440162 0.86 SLC9A1 (0.41) KDM4ESLC9A1KMT2APTGS2MEN1
SCHEMBL7440585 0.83 ALPL (0.37) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL7432377 0.74 ALPL (0.38) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL9324010 0.72 TP53 (0.44) ALDH1A1KDM4EL3MBTL1PDGFRBADORA1
SCHEMBL27662263 0.72 TP53 (0.41) ALDH1A1KDM4EL3MBTL1PDGFRBADORA1
SCHEMBL259469 0.72 GAA (0.51) ALDH1A1KDM4EGAAPDGFRBHPGD
SCHEMBL9603801 0.71 SLC9A1 (0.44) KDM4ESLC9A1KMT2AMEN1
SCHEMBL7426997 0.69 MAPT (0.36) BPTFALDH1A1KDM4EL3MBTL1GAA

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
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed