SCHEMBL27360047

SCHEMBL27360047

CN(C)C(=C[N+](=O)[O-])N(C)c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 8/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 3/20 0.33
NAPRT Q6XQN6 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
RXFP1 Q9HBX9 1/20 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
JAK2 O60674 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL7753500 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7660137 0.88 ALDH1A1 (0.33) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL14354912 0.83 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL27300632 0.83 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7753213 0.82 MAPT (0.39) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL10440281 0.82 MAPT (0.39) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7752451 0.81 ALDH1A1 (0.34) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7658017 0.81 ALDH1A1 (0.34) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7672435 0.78 CHRNB2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7753165 0.78 CHRNB2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085937-C A method of killing noxious insects BAYER AGROCHEM KK (JP) 2002-06-05 CN disclosed
CN-1068500-C Poisonous baits for controlling soil-inhabiting pests BAYER AGROCHEM KK (JP) 2001-07-18 CN disclosed
CN-1031265-C Tetrahydropyrimidine-containing pest control compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-03-13 CN disclosed
CN-1102828-A Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-05-24 CN disclosed
CN-1101220-A A method of killing noxious insects BAYER AGROCHEM KK (JP) 1995-04-12 CN disclosed
CN-1042149-A Tetrahydropyrimidines, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-05-16 CN disclosed