SCHEMBL158570

SCHEMBL158570

CS(=O)(=O)O.ClCN1CCc2ccccc2CC1

nearest known ligand 0.47

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
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CARM1 Q86X55 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ HTR7 P34969 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ACE P12821 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
Sulfuric Acid SCHEMBL158676 0.93 HSD17B10 (0.49) HDAC1HDAC6CARM1POLBHTR7
SCHEMBL162670 0.85 MAOA (0.46) HDAC1HDAC6CARM1HTR7KDM4E
Bromide SCHEMBL161201 0.83 MAOA (0.45) HDAC1HDAC6CARM1HTR7KDM4E
Iodide SCHEMBL162027 0.83 MAOA (0.45) HDAC1HDAC6CARM1HTR7KDM4E
Malonic Acid SCHEMBL160931 0.83 HDAC1 (0.50) HDAC1HDAC6POLBPRMT5WDR77
Phosphoric Acid SCHEMBL166017 0.82 HDAC1 (0.49) HDAC1HDAC6CARM1POLBHTR7
Glycolic Acid SCHEMBL162066 0.79 HDAC1 (0.47) HDAC1HDAC6POLBHTR7KDM4E
Succinic Acid SCHEMBL161277 0.79 NOTUM (0.54) HDAC1HDAC6POLBPRMT5WDR77
Nitric Acid SCHEMBL163518 0.79 HDAC1 (0.43) HDAC1HDAC6HTR7HDAC3HDAC8
Maleic Acid SCHEMBL161823 0.78 MEN1 (0.46) HDAC1HDAC6POLBHTR7KDM4E

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
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 — — WO disclosed
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