SCHEMBL11031469

SCHEMBL11031469

CN(SN(C)C(=O)OCc1ccc(C(C)(C)C)cc1)C(=O)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
NR4A2 P43354 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NR2F2 P24468 1/20 0.39
MAPT P10636 1/20 0.39
ESRRG P62508 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.36

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 0.83 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1RAB9ANR4A2
SCHEMBL11024878 0.83 ALDH1A1 (0.49) KMT2AL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL11026377 0.82 ALDH1A1 (0.45) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL11028829 0.77 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11022546 0.74 HCAR2 (0.47) NR4A2RXRARXRBALDH1A1LMNA
SCHEMBL25978540 0.73 ESRRG (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2RAB9A
SCHEMBL11024148 0.73 MMP1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3363931 0.73 SMN1; SMN2 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2RAB9A
SCHEMBL1788828 0.72 SMN1; SMN2 (0.56) MEN1KMT2AL3MBTL1SMN1; SMN2RAB9A
SCHEMBL25750941 0.72 ESRRG (0.49) MEN1KMT2AL3MBTL1SMN1; SMN2RAB9A

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