SCHEMBL5206628

SCHEMBL5206628

COc1cccnc1C(O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
PLAU P00749 1/20 0.42
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NSD2 O96028 1/20 0.35
CASP6 P55212 1/20 0.35
G6PD P11413 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL30616739 0.86 ACHE (0.45) ACHEPLAUL3MBTL1ALDH1A1MAPT
SCHEMBL23293402 0.86 ACHE (0.45) ACHEPLAUL3MBTL1ALDH1A1MAPT
SCHEMBL5656046 0.83 GAA (0.42) ACHEALDH1A1MAPTLMNARAB9A
SCHEMBL5656585 0.83 NOS3 (0.44) ACHEPLAUL3MBTL1ALDH1A1MAPT
SCHEMBL5212068 0.79 ALDH1A1 (0.45) L3MBTL1ALDH1A1MAPTLMNANPC1
SCHEMBL17064461 0.76 ALDH1A1 (0.45) ACHENFKB1L3MBTL1ALDH1A1MAPT
SCHEMBL31067629 0.76 ALDH1A1 (0.45) ACHENFKB1L3MBTL1ALDH1A1MAPT
SCHEMBL28825255 0.75 PLAU (0.46) ACHEPLAUMAPTMAPK1LMNA
SCHEMBL1132844 0.75 PLAU (0.46) ACHEPLAUMAPTMAPK1LMNA
SCHEMBL29808848 0.75 PLAU (0.46) ACHEPLAUMAPTMAPK1LMNA

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 10 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
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN 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