SCHEMBL5203764

SCHEMBL5203764

O=C1CCCSc2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.51
ELOC Q15369 1/20 0.51
ELOB Q15370 1/20 0.51
CTSL P07711 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
S100A4 P26447 1/20 0.38
HTT P42858 1/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP11 Q9NR21 1/20 0.37
PARP1 P09874 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL69249 0.89 VHL (0.64) VHLELOCELOBCTSLTDP1
Ethylene SCHEMBL8101571 0.86 VHL (0.60) VHLELOCELOBCTSLTDP1
SCHEMBL5956746 0.86 KDM4E (0.47) VHLELOCELOBCTSLTDP1
SCHEMBL20165279 0.83 VHL (0.51) VHLELOCELOBCTSLALDH1A1
SCHEMBL5118761 0.79 VHL (0.51) VHLELOCELOBCTSLL3MBTL1
SCHEMBL5329304 0.78 S100A4 (0.43) VHLELOCELOBCTSLTDP1
SCHEMBL30829218 0.78 S100A4 (0.43) VHLELOCELOBCTSLTDP1
SCHEMBL7222447 0.76 KDM4E (0.63) VHLELOCELOBALDH1A1KDM4E
SCHEMBL13135 0.75 KDM4E (0.58) VHLELOCELOBCTSLTDP1
SCHEMBL30714352 0.75 KDM4E (0.58) VHLELOCELOBCTSLTDP1

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 7 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
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed