SCHEMBL9800154

SCHEMBL9800154

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
LMNA P02545 1/20 0.45
NAMPT P43490 2/20 0.45
NR1H3 Q13133 5/20 0.40
NR1D1 P20393 4/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
AGTR2 P50052 1/20 0.39
CHRNA7 P36544 1/20 0.38
CLK1 P49759 1/20 0.38
NR1H2 P55055 1/20 0.38
KMT2A Q03164 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
SCHEMBL9800159 1.00 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL27717225 0.82 RIPK1 (0.49) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7671954 0.80 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7669212 0.80 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL9718704 0.80 RIPK1 (0.47) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL8560242 0.79 RIPK1 (0.46) RIPK1CHRNB2CHRNA4LMNANAMPT
SCHEMBL7670556 0.79 MMP2 (0.34) LMNAALDH1A1HTT
SCHEMBL7660230 0.79 AGTR2 (0.39) CHRNB2CHRNA4ALDH1A1SMN1; SMN2HTT
SCHEMBL9045171 0.79 AGTR2 (0.39) CHRNB2CHRNA4ALDH1A1SMN1; SMN2HTT
SCHEMBL7686987 0.78 RIPK1 (0.48) RIPK1CHRNB2CHRNA4LMNANAMPT

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-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