SCHEMBL8066397

SCHEMBL8066397

CC(=C(N)[N+](=O)[O-])N(Cc1ccccc1)Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KCNA5 P22460 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 6/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LMNA P02545 1/20 0.43
NAMPT P43490 1/20 0.42
GRM2 Q14416 2/20 0.42
NR1D1 P20393 1/20 0.42
NR1H3 Q13133 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL30482084 0.74 KMT2A (0.58) KMT2AALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL25378385 0.74 KMT2A (0.58) KMT2AALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL7670029 0.73 KMT2A (0.48) KMT2AKCNA5ALDH1A1MEN1
SCHEMBL7670432 0.73 NAPRT (0.45) ALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL7671907 0.73 NAPRT (0.51) ALDH1A1LMNANAMPT
SCHEMBL27327799 0.73 NAPRT (0.51) ALDH1A1LMNANAMPT
SCHEMBL2187051 0.72 KDM4E (0.61) KMT2AALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL7866104 0.70 PKM (0.60) KMT2AALDH1A1LMNA
SCHEMBL27287575 0.70 CYP1A2 (0.48) ALDH1A1LMNANAMPT
SCHEMBL6986062 0.70 GAA (0.51) KMT2AALDH1A1LMNANAMPTGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed