SCHEMBL8689258

SCHEMBL8689258

CCOC(=O)c1ccc(NC(=O)CNc2ccccc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
TSHR P16473 1/20 0.56
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 4/20 0.55
NPC1 O15118 3/20 0.55
CASP3 P42574 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NFKB1 P19838 1/20 0.53
HTT P42858 1/20 0.53
NFKB2 Q00653 1/20 0.53

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
SCHEMBL8688659 0.89 RAB9A (0.69) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL4915540 0.84 NPC1 (0.76) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL8689497 0.82 L3MBTL1 (0.63) TSHRMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL20620023 0.82 MAPT (0.72) MEN1KMT2ATSHRMAPTRAB9A
SCHEMBL8691155 0.82 HDAC1 (0.55) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL8688524 0.80 ALDH1A1 (0.59) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL8688542 0.79 ALDH1A1 (0.56) MEN1KMT2ATSHRMAPTRAB9A
SCHEMBL8689501 0.78 FAAH (0.60) MEN1KMT2AGAAALDH1A1HTT
SCHEMBL8693551 0.78 RAB9A (0.54) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL7142241 0.77 TSHR (0.70) MEN1KMT2ATSHRMAPTRAB9A

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
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed