SCHEMBL9757210

SCHEMBL9757210

Cc1ccc(S(=O)(=O)N2Cc3ccc(F)cc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PKM P14618 4/20 0.50
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL11773546 0.85 PKM (0.61) HDAC1KMT2AMEN1PKMLMNA
SCHEMBL382362 0.82 HDAC1 (0.54) HDAC1KMT2AMEN1PKMGAA
SCHEMBL7006375 0.82 HDAC1 (0.57) HDAC1KMT2AMEN1PKMTHRB
SCHEMBL14640610 0.81 RYR2 (0.65) HDAC1KMT2AMEN1PKMLMNA
SCHEMBL5708819 0.80 GAA (0.62) KMT2AMEN1PKMLMNAGAA
SCHEMBL7497005 0.79 HDAC1 (0.49) HDAC1KMT2AMEN1PKMLMNA
SCHEMBL9757230 0.78 HDAC1 (0.51) HDAC1KMT2AMEN1PKMGAA
SCHEMBL1266856 0.77 ESR1 (0.49) HDAC1KMT2AMEN1AKR1C3
SCHEMBL9602776 0.77 PKM (0.64) KMT2AMEN1PKMLMNAGAA
SCHEMBL16637857 0.76 HDAC1 (0.49) HDAC1PKMLMNASMN1; SMN2ALDH1A1

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed