SCHEMBL5204546

SCHEMBL5204546

CN(c1ccc([N+](=O)[O-])cc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 3/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
ATM Q13315 1/20 0.49
TLR9 Q9NR96 1/20 0.49
POLB P06746 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL8117678 0.83 ALDH1A1 (0.50) L3MBTL1MEN1KMT2AALDH1A1CRHBP
SCHEMBL6759904 0.83 POLB (0.64) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL4029429 0.79 TP53 (0.47) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL5842574 0.78 ALDH1A1 (0.71) L3MBTL1MEN1KMT2AALDH1A1CRHBP
SCHEMBL9274109 0.78 TP53 (0.59) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL9274094 0.78 TP53 (0.59) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL4033934 0.77 PDE7A (0.51) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL4805106 0.77 CYP2D6 (0.50) L3MBTL1MEN1KMT2AALDH1A1POLB
SCHEMBL14165160 0.77 MAPT (0.60) L3MBTL1MEN1KMT2AALDH1A1CRHBP
SCHEMBL21474173 0.77 MAPT (0.60) L3MBTL1MEN1KMT2AALDH1A1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732516-B A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2021-01-05 CN disclosed
CN-111732516-A A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2020-10-02 CN disclosed
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