SCHEMBL5209312

SCHEMBL5209312

O=C(O)C=Cc1cccc(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
MAOB P27338 1/20 0.62
NFE2L2 Q16236 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RHOA P61586 1/20 0.54
HSP90AA1 P07900 3/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TRPM2 O94759 1/20 0.53
FBP1 P09467 1/20 0.53
VCP P55072 1/20 0.53
CYP19A1 P11511 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
PTPN1 P18031 1/20 0.51

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
SCHEMBL5209309 1.00 MAPT (0.62) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL4179178 0.91 MAPT (0.73) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL448381 0.91 MAPT (0.73) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL3290556 0.91 MAPT (0.73) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL426380 0.91 MAPT (0.73) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL29626695 0.91 MAPT (0.73) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL7990710 0.89 MAPT (0.71) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL7401665 0.89 MAPT (0.71) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL27877632 0.89 MAPT (0.71) MAPTMAOBNFE2L2MEN1KMT2A
3-Nitro-Cinnamic Acid SCHEMBL7990708 0.88 MAPT (0.69) MAPTMAOBNFE2L2MEN1KMT2A

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