SCHEMBL11250080

SCHEMBL11250080

COCC(=O)N(C/C(C)=N/OC)c1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 1/20 0.32
POLB P06746 1/20 0.31
NLRP3 Q96P20 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 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
SCHEMBL11150603 1.00 MEN1 (0.35) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11147283 0.84 TP53 (0.39) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL14320112 0.80 NLRP3 (0.39) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11291165 0.78 MEN1 (0.35) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11299838 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11066840 0.77 TP53 (0.46) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11264436 0.76 S1PR4 (0.44) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL11264439 0.76 S1PR4 (0.44) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL11246922 0.76 MEN1 (0.35) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11246924 0.76 MEN1 (0.35) MEN1KMT2AALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337268-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-06-29 US disclosed