SCHEMBL9045814

SCHEMBL9045814

CC(C)N/C(=C\[N+](=O)[O-])N(C)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL27324373 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7752451 0.86 ALDH1A1 (0.34) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7658017 0.86 ALDH1A1 (0.34) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7752222 0.83 ALDH1A1 (0.37) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7669944 0.83 ALDH1A1 (0.37) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7662120 0.81 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL8405604 0.80 CHRNA1 (0.38) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8556153 0.78 ATM (0.39) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL14354912 0.78 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL27300632 0.78 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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
EP-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed
EP-0366085-A2 Tetrahydropyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-02 EP disclosed