SCHEMBL5206467

SCHEMBL5206467

O=C(O)C(=Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.70
AKR1C1 Q04828 5/20 0.68
AKR1C3 P42330 7/20 0.58
AKR1C2 P52895 5/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PARP1 P09874 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL8795911 1.00 PTGS2 (0.70) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL39275 0.82 AKR1C1 (1.00) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL290469 0.82 AKR1C1 (1.00) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL181529 0.82 AKR1C1 (1.00) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL4768785 0.81 PTGS2 (0.55) PTGS2AKR1C3AKR1C2KMT2AALDH1A1
SCHEMBL4768787 0.81 PTGS2 (0.55) PTGS2AKR1C3AKR1C2KMT2AALDH1A1
SCHEMBL7840931 0.81 AKR1C1 (0.75) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL7840929 0.81 AKR1C1 (0.75) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL10269478 0.80 AKR1C1 (0.68) PTGS2AKR1C1AKR1C3AKR1C2KMT2A
SCHEMBL1225004 0.80 AKR1C1 (0.72) PTGS2AKR1C1AKR1C3AKR1C2KMT2A

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 12 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-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF 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
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed