SCHEMBL8322000

SCHEMBL8322000

CS(=O)(=O)O.Cc1oc(-c2ccccc2)nc1C(=O)COc1ccc(C=C2SC(=O)NC2=O)nc1

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 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.44
HDAC8 Q9BY41 9/20 0.44
GPR35 Q9HC97 1/20 0.42
SLC9A1 P19634 1/20 0.41
PPARG P37231 1/20 0.41
KCNH2 Q12809 1/20 0.40
HPGD P15428 2/20 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
SCHEMBL8321994 1.00 HDAC4 (0.44) HDAC4HDAC8GPR35SLC9A1PPARG
SCHEMBL8113013 0.96 GPR35 (0.45) HDAC4HDAC8GPR35PPARGKCNH2
SCHEMBL8113007 0.96 GPR35 (0.45) HDAC4HDAC8GPR35PPARGKCNH2
Hydrochloric Acid SCHEMBL8318758 0.95 GPR35 (0.45) HDAC4HDAC8GPR35PPARGKCNH2
SCHEMBL8322665 0.94 HPGD (0.45) HDAC4HDAC8GPR35PPARGKCNH2
SCHEMBL8322667 0.94 HPGD (0.45) HDAC4HDAC8GPR35PPARGKCNH2
SCHEMBL10365844 0.87 GPR35 (0.56) HDAC4HDAC8GPR35PPARGHPGD
SCHEMBL10365841 0.87 GPR35 (0.56) HDAC4HDAC8GPR35PPARGHPGD
SCHEMBL10365846 0.80 PPARG (0.46) HDAC4HDAC8GPR35PPARGHPGD
SCHEMBL10365647 0.75 GPR35 (0.60) HDAC4HDAC8GPR35PPARGHPGD

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-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US disclosed