SCHEMBL9864105

SCHEMBL9864105

O=C1C(=NO)C=Cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
PTPRC P08575 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 3/20 0.55
IDO1 P14902 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
BCHE P06276 2/20 0.55
THRB P10828 2/20 0.55
CES1 P23141 2/20 0.55
RECQL P46063 2/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
PTPN1 P18031 1/20 0.55
ACHE P22303 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55

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
SCHEMBL13743297 1.00 MEN1 (0.55) MEN1KMT2APTPRCKDM4EMAPT
SCHEMBL21758015 1.00 MEN1 (0.55) MEN1KMT2APTPRCKDM4EMAPT
Methoxymethane SCHEMBL7915877 0.93 MEN1 (0.48) MEN1KMT2APTPRCKDM4EMAPT
Benzoic Acid SCHEMBL7914965 0.88 KMT2A (0.44) MEN1KMT2APTPRCKDM4EMAPT
SCHEMBL27304912 0.83 MEN1 (0.42) MEN1KMT2APTPRCKDM4EMAPT
SCHEMBL29394773 0.83 MEN1 (0.42) MEN1KMT2APTPRCKDM4EMAPT
SCHEMBL25989989 0.80 MEN1 (0.55) MEN1KMT2APTPRCKDM4EMAPT
SCHEMBL7918634 0.80 IDO1 (0.55) MEN1KMT2APTPRCKDM4EMAPT
SCHEMBL31228817 0.78 MEN1 (0.48) MEN1KMT2APTPRCKDM4EMAPT
Acetic Acid SCHEMBL30956642 0.77 KMT2A (0.38) MEN1KMT2APTPRCKDM4EMAPT

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-0413224-A1 Fungicidal agent containing 1,2-naphthoquinones BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
US-4324799-A Fungicidal thioglycolic acid anilides, processes for their manufacture and pesticidal compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed