SCHEMBL9800218

SCHEMBL9800218

CCCCN(C)/C(=C\[N+](=O)[O-])NCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 3/20 0.43
NAMPT P43490 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
FES P07332 1/20 0.42
RET P07949 1/20 0.42
MARK3 P27448 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL9800223 1.00 FAAH (0.47) FAAHKMT2APKMTRPV1HTT
SCHEMBL8405578 0.89 PKM (0.50) KMT2APKMHTTLMNANFKB1
SCHEMBL7664472 0.85 HTT (0.50) KMT2APKMHTTLMNANFKB1
SCHEMBL7664478 0.85 HTT (0.50) KMT2APKMHTTLMNANFKB1
SCHEMBL9864923 0.85 HTT (0.50) KMT2APKMHTTLMNANFKB1
SCHEMBL8404147 0.84 NAMPT (0.48) KMT2APKMHTTLMNANFKB1
SCHEMBL7669071 0.83 RIPK1 (0.45) FAAHKMT2APKMTRPV1LMNA
SCHEMBL9800116 0.83 RIPK1 (0.45) FAAHKMT2APKMTRPV1LMNA
SCHEMBL7660006 0.82 LMNA (0.47) KMT2APKMHTTLMNANFKB1
SCHEMBL8406562 0.81 HTT (0.48) KMT2APKMHTTLMNANFKB1

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