SCHEMBL9079388

SCHEMBL9079388

Cc1ccc(C(=S)C2CCCN(CC(=O)c3ccc(NS(C)(=O)=O)cc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GRIN2B Q13224 1/20 0.46
KDM2B Q8NHM5 2/20 0.43
TSHR P16473 2/20 0.41
BCL2 P10415 2/20 0.41
BECN1 Q14457 2/20 0.41
KCNH2 Q12809 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL9077704 0.81 MEN1 (0.57) ALDH1A1MEN1KMT2AGRIN2BKDM2B
SCHEMBL9076966 0.81 KDM2B (0.59) ALDH1A1MEN1KMT2AGRIN2BKDM2B
SCHEMBL9076918 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2AGRIN2BKDM2B
SCHEMBL9078483 0.78 KDM2B (0.59) ALDH1A1MEN1KMT2AGRIN2BKDM2B
Hydrochloric Acid SCHEMBL9077304 0.78 KDM2B (0.58) ALDH1A1MEN1KMT2AGRIN2BKDM2B
SCHEMBL9625464 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGRIN2BTSHR
SCHEMBL10646175 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGRIN2BTSHR
Hydrochloric Acid SCHEMBL9624458 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGRIN2BTSHR
Hydrochloric Acid SCHEMBL9624778 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGRIN2BTSHR
SCHEMBL9444257 0.74 KCNH2 (0.60) ALDH1A1MEN1KMT2AGRIN2BTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532629-B1 1-PIPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL PHARMA INC (US) 1996-11-06 EP disclosed
US-5478846-A 1-piperidinyl alkanoylanyl sulfonamides for treatment of cardiac arrhythmia MERRELL DOW PHARMACEUTICALS INC. (US) 1995-12-26 US disclosed
EP-0532629-A4 1994-03-09 EP disclosed
EP-0532629-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
WO-1991018603-A1 1-PYPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed