SCHEMBL8569633

SCHEMBL8569633

COc1c(C(=O)N(C)C)cccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KEAP1 Q14145 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
HNF4A P41235 1/20 0.41
IKBKB O14920 1/20 0.41
BCAT2 O15382 1/20 0.40
SCN9A Q15858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TACR1 P25103 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8573478 0.90 MEN1 (0.58) MEN1KMT2ASMN1; SMN2KEAP1NR1H4
SCHEMBL7445918 0.82 MEN1 (0.86) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL8570513 0.81 MEN1 (0.62) MEN1KMT2ASMN1; SMN2KEAP1HTT
Hydrogen Sulfide SCHEMBL28029146 0.81 MEN1 (0.83) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL30463435 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL6677412 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL7856359 0.79 MEN1 (0.68) MEN1KMT2ASMN1; SMN2KEAP1HTT
SCHEMBL30394743 0.78 HNF4A (0.58) MEN1KMT2ASMN1; SMN2NR1H4HTT
SCHEMBL4632581 0.78 HNF4A (0.58) MEN1KMT2ASMN1; SMN2NR1H4HTT
SCHEMBL27890118 0.78 NR1H4 (0.56) MEN1KMT2ASMN1; SMN2NR1H4HTT

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed