SCHEMBL5209405

SCHEMBL5209405

CON(C)C(=O)c1cncc(-c2ccc(C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRNA7 P36544 1/20 0.45
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
SCN10A Q9Y5Y9 4/20 0.43
XDH P47989 3/20 0.43
MAP4K4 O95819 1/20 0.43
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL4056048 0.82 ATM (0.59) CYP11B1CYP11B2CYP1A2CYP3A4ICAM1
SCHEMBL9152657 0.81 MLYCD (0.53) ATM
SCHEMBL870352 0.76 MLYCD (0.57) HDAC1ATM
SCHEMBL31301548 0.76 SCN10A (0.54) HDAC1CHRNA7MKNK1MKNK2SCN10A
SCHEMBL8111416 0.75 HDAC1 (0.55) HDAC1CYP11B1CYP11B2CHRNA7ICAM1
SCHEMBL12647206 0.75 MKNK1 (0.69) HDAC1CYP11B1CYP11B2CHRNA7MKNK1
SCHEMBL10223023 0.74 HCAR2 (0.53) MKNK1MKNK2ATM
SCHEMBL480826 0.74 POLB (0.53) CYP1A2CYP3A4
SCHEMBL14395852 0.74 HCAR2 (0.53) HDAC1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31301375 0.73 MLYCD (0.48) HDAC1CHRNA7SCN10A

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-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