SCHEMBL9718704

SCHEMBL9718704

CN/C(=C\[N+](=O)[O-])N(C)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
LMNA P02545 2/20 0.45
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
TBXAS1 P24557 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR1D1 P20393 2/20 0.40
NR1H3 Q13133 2/20 0.40
HTT P42858 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HTR2C P28335 1/20 0.39
ADAM17 P78536 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7669212 1.00 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL8560242 0.89 RIPK1 (0.46) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7665586 0.88 CHRNB2 (0.44) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669230 0.88 CHRNA7 (0.49) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669223 0.88 CHRNA7 (0.49) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7686987 0.88 RIPK1 (0.48) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669180 0.87 LMNA (0.48) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7660006 0.86 LMNA (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7670029 0.85 KMT2A (0.48) ALDH1A1SMN1; SMN2
SCHEMBL7669029 0.85 CHRNB2 (0.46) RIPK1CHRNB2CHRNA4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-5049571-A Insecticides CIBA-GEIGY CORPORATION (US) 1991-09-17 US disclosed
US-4918086-A PESTICIDES, INSECTICIDES CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed