SCHEMBL9579797

SCHEMBL9579797

O=C(NCCc1c(F)cccc1F)NSc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
GAA P10253 1/20 0.39
CDC7 O00311 1/20 0.38
AURKA O14965 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK12 P53778 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKAA1 Q13131 1/20 0.38

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
SCHEMBL6958381 0.69 ALDH1A1 (0.47) CDC7AURKAPRKD3MAP4K4CDK1
SCHEMBL6954596 0.69 RAB9A (0.53) MAPK1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6961755 0.69 ALOX5 (0.52) MAPK1ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL11488552 0.64 SMN1; SMN2 (0.49) GAAALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL27452693 0.63 CNR1 (0.41) CNR1GAADNMT3BALDH1A1SMN1; SMN2
SCHEMBL6955391 0.63 RAB9A (0.53) CNR1MAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19936206 0.63 NPC1 (0.49) CNR1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6958387 0.62 GSK3A (0.46) GAACDC7AURKAPRKD3MAP4K4
SCHEMBL6084496 0.62 NPC1 (0.68) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL16384871 0.61 NPC1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2ATSHR

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
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed