SCHEMBL5205162

SCHEMBL5205162

Cc1ccc(S(=O)(=O)N2CCC(c3ccc(C=O)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 3/20 0.51
POLB P06746 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EBP Q15125 1/20 0.48
DHCR7 Q9UBM7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL294854 0.83 USP5 (0.62) USP5SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL27521402 0.83 TP53 (0.50) USP5SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL5208476 0.83 SMN1; SMN2 (0.76) USP5SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL294302 0.81 THRB (0.65) USP5SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL17988177 0.80 ALDH1A1 (0.60) SMN1; SMN2HTTLMNAALDH1A1KDM4E
SCHEMBL847672 0.77 HSD11B1 (0.56) SMN1; SMN2HTTLMNAALDH1A1KDM4E
SCHEMBL23884723 0.76 USP5 (0.54) USP5SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL23884718 0.76 HSD11B1 (0.60) SMN1; SMN2HTTLMNAALDH1A1PKM
SCHEMBL4630063 0.76 MAPT (0.61) USP5SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL266466 0.75 MEN1 (0.77) HTTLMNAALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed