SCHEMBL8790929

SCHEMBL8790929

CC1(C)CN(c2ccccc2F)C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.46
PGR P06401 1/20 0.45
ALDH1A1 P00352 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
GAA P10253 1/20 0.44
MGLL Q99685 1/20 0.43
NSD2 O96028 1/20 0.42
GRM5 P41594 1/20 0.41
HSD11B1 P28845 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
SCHEMBL9340652 0.79 RAB9A (0.50) RECQLRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL16719986 0.79 RECQL (0.55) KMT2ARECQLRAB9ASMN1; SMN2L3MBTL1
SCHEMBL7356569 0.79 RECQL (0.73) KMT2ARECQLRAB9ASMN1; SMN2L3MBTL1
SCHEMBL8791401 0.76 KMT2A (0.57) MEN1KMT2ARECQLRAB9ASMN1; SMN2
SCHEMBL2530939 0.73 RECQL (0.50) RECQLRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL292960 0.72 MEN1 (0.53) MEN1KMT2ASMN1; SMN2PGRALDH1A1
SCHEMBL8790936 0.70 SMN1; SMN2 (0.81) RECQLRAB9ASMN1; SMN2L3MBTL1PGR
SCHEMBL8631856 0.70 KMT2A (0.66) MEN1KMT2AALDH1A1OPRM1OPRL1
SCHEMBL13116697 0.70 RECQL (0.57) RECQLRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11203413 0.68 KMT2A (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1

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
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed