SCHEMBL11028829

SCHEMBL11028829

CN(SN(C)C(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 2/20 0.42
SCN9A Q15858 1/20 0.41
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL11026369 0.85 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL11022546 0.83 HCAR2 (0.47) ALDH1A1IDO1TSHRMAOAMAOB
SCHEMBL11024878 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1TSHRMAPT
SCHEMBL11026377 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10483525 0.78 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL11031469 0.77 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11027172 0.77 CASP3 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11024148 0.77 MMP1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AIDO1
SCHEMBL11025887 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AIDO1MAOB
SCHEMBL31633280 0.75 MAPK1 (0.50) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2

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-4479002-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES UNION CARBIDE CORPORATION (US) 1984-10-23 US disclosed