SCHEMBL9025877

SCHEMBL9025877

N#CN=C1NCCCC1CCc1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA3 P32297 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRNA1 P02708 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL9025940 0.93 CHRNA7 (0.41) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL7127186 0.88 CHRNA7 (0.41) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL7128063 0.81 CHRNA7 (0.43) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL9025575 0.71 CHRNA3 (0.53) CHRNA7CHRNB2CHRNA4CHRNA3PSEN1
SCHEMBL9025229 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7129662 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7129658 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9025632 0.70 PSEN1 (0.43) CHRNA7CHRNB2CHRNA4CHRNA3PSEN1
SCHEMBL14628597 0.68 CHRNA3 (0.55) CHRNA7CHRNB2CHRNA4CHRNA3
SCHEMBL5833743 0.68 CHRNA7 (0.58) CHRNA7MEN1KMT2ATDP1CHRNB2

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
EP-0693066-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES Novartis AG (CH) 1996-01-24 EP claimed
EP-0693066-A1 NOVEL 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES Novartis AG (CH) 1996-01-24 EP disclosed