SCHEMBL8404147

SCHEMBL8404147

CN(Cc1ccccc1)C(=C[N+](=O)[O-])NCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
USP2 O75604 1/20 0.44
KEAP1 Q14145 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL7660006 0.95 LMNA (0.47) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL8405578 0.88 PKM (0.50) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL7664472 0.87 HTT (0.50) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL9864923 0.87 HTT (0.50) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL7664478 0.87 HTT (0.50) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL7686987 0.86 RIPK1 (0.48) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL9800218 0.84 FAAH (0.47) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL9800223 0.84 FAAH (0.47) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL9718704 0.83 RIPK1 (0.47) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL7669212 0.83 RIPK1 (0.47) NAMPTHTTLMNANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed