SCHEMBL5566928

SCHEMBL5566928

CS(=O)(=O)O.O=c1cnn(-c2cc(Cl)c(C(CO)c3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1

nearest known ligand 0.59

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 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
NR1I2 O75469 1/20 0.59
KMT2A Q03164 1/20 0.59
P2RX7 Q99572 9/20 0.44
THRB P10828 10/20 0.43
THRA P10827 3/20 0.43
ABCB11 O95342 1/20 0.39

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
SCHEMBL5566905 0.94 MEN1 (0.65) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL5566929 0.85 MEN1 (0.60) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL5995073 0.79 MEN1 (0.69) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL5562109 0.79 MEN1 (0.69) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL9823772 0.78 MEN1 (0.65) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL6342801 0.78 MEN1 (0.71) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL10394519 0.78 MEN1 (0.64) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL9823876 0.77 MEN1 (0.61) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL5565958 0.77 MEN1 (0.61) MEN1NR1I2KMT2AP2RX7THRB
SCHEMBL10394521 0.77 MEN1 (0.61) MEN1NR1I2KMT2AP2RX7THRB

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
EP-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-6867207-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-15 US disclosed